Benzenesulfonyl compounds

Organosulfur compounds that consist of a benzene ring substituted with a sulfonyl group that is subsequently bonded to an organic functional group.

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Diphenyl sulfone, 99+%

CAS: 127-63-9 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00007548 InChI Key: KZTYYGOKRVBIMI-UHFFFAOYSA-N Synonym: diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone PubChem CID: 31386 ChEBI: CHEBI:78360 IUPAC Name: benzenesulfonylbenzene SMILES: O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	31386
CAS	127-63-9
Molecular Weight (g/mol)	218.27
ChEBI	CHEBI:78360
MDL Number	MFCD00007548
SMILES	O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone
IUPAC Name	benzenesulfonylbenzene
InChI Key	KZTYYGOKRVBIMI-UHFFFAOYSA-N
Molecular Formula	C12H10O2S

3,3'-Diaminodiphenyl sulfone, 98%

CAS: 599-61-1 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.30 MDL Number: MFCD00007792 InChI Key: LJGHYPLBDBRCRZ-UHFFFAOYSA-N Synonym: 3,3'-sulfonyldianiline,3,3'-diaminodiphenyl sulfone,3-aminophenyl sulfone,benzenamine, 3,3'-sulfonylbis,3,3'-sulphonyldianiline,bis m-aminophenyl sulfone,3-aminophenyl-sulfone,3,3'-diaminophenyl sulfone,3,3'-sulfonylbis aniline,sulfone, bis m-aminophenyl PubChem CID: 11741 IUPAC Name: 3-(3-aminophenyl)sulfonylaniline SMILES: NC1=CC(=CC=C1)S(=O)(=O)C1=CC(N)=CC=C1

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PubChem CID	11741
CAS	599-61-1
Molecular Weight (g/mol)	248.30
MDL Number	MFCD00007792
SMILES	NC1=CC(=CC=C1)S(=O)(=O)C1=CC(N)=CC=C1
Synonym	3,3'-sulfonyldianiline,3,3'-diaminodiphenyl sulfone,3-aminophenyl sulfone,benzenamine, 3,3'-sulfonylbis,3,3'-sulphonyldianiline,bis m-aminophenyl sulfone,3-aminophenyl-sulfone,3,3'-diaminophenyl sulfone,3,3'-sulfonylbis aniline,sulfone, bis m-aminophenyl
IUPAC Name	3-(3-aminophenyl)sulfonylaniline
InChI Key	LJGHYPLBDBRCRZ-UHFFFAOYSA-N
Molecular Formula	C12H12N2O2S

Methyl phenyl sulfone, 99%

CAS: 3112-85-4 Molecular Formula: C₇H₈O₂S Molecular Weight (g/mol): 156.2 MDL Number: MFCD00014741 InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N Synonym: methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone PubChem CID: 18369 IUPAC Name: methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC=C1

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PubChem CID	18369
CAS	3112-85-4
Molecular Weight (g/mol)	156.2
MDL Number	MFCD00014741
SMILES	CS(=O)(=O)C1=CC=CC=C1
Synonym	methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone
IUPAC Name	methylsulfonylbenzene
InChI Key	JCDWETOKTFWTHA-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂S

4-Fluorophenyl sulfone, 99%

CAS: 383-29-9 Molecular Formula: C12H8F2O2S Molecular Weight (g/mol): 254.25 MDL Number: MFCD00000350 InChI Key: PLVUIVUKKJTSDM-UHFFFAOYSA-N Synonym: 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone PubChem CID: 67842 IUPAC Name: 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene SMILES: FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1

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PubChem CID	67842
CAS	383-29-9
Molecular Weight (g/mol)	254.25
MDL Number	MFCD00000350
SMILES	FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1
Synonym	4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone
IUPAC Name	1-fluoro-4-(4-fluorophenyl)sulfonylbenzene
InChI Key	PLVUIVUKKJTSDM-UHFFFAOYSA-N
Molecular Formula	C12H8F2O2S

2-Fluoro-5-methylsulphonylnitrobenzene, 95%, Thermo Scientific™

CAS: 453-72-5 Molecular Formula: C7H6FNO4S Molecular Weight (g/mol): 219.19 MDL Number: MFCD00025066 InChI Key: OUSNDSFSTBZESM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene PubChem CID: 313137 IUPAC Name: 1-fluoro-4-methanesulfonyl-2-nitrobenzene SMILES: CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

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PubChem CID	313137
CAS	453-72-5
Molecular Weight (g/mol)	219.19
MDL Number	MFCD00025066
SMILES	CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym	4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene
IUPAC Name	1-fluoro-4-methanesulfonyl-2-nitrobenzene
InChI Key	OUSNDSFSTBZESM-UHFFFAOYSA-N
Molecular Formula	C7H6FNO4S

(Phenylsulfonyl)acetic acid, 97%

CAS: 3959-23-7 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00025042 InChI Key: YTEFAALYDTWTLB-UHFFFAOYSA-N Synonym: phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid PubChem CID: 59543 IUPAC Name: 2-(benzenesulfonyl)acetic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(=O)O

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PubChem CID	59543
CAS	3959-23-7
Molecular Weight (g/mol)	200.208
MDL Number	MFCD00025042
SMILES	C1=CC=C(C=C1)S(=O)(=O)CC(=O)O
Synonym	phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid
IUPAC Name	2-(benzenesulfonyl)acetic acid
InChI Key	YTEFAALYDTWTLB-UHFFFAOYSA-N
Molecular Formula	C8H8O4S

4-(Trifluoromethylsulfonyl)phenylacetic acid, 98%

CAS: 1099597-82-6 Molecular Formula: C9H7F3O4S Molecular Weight (g/mol): 268.206 MDL Number: MFCD04973012 InChI Key: FIEUCHICQSJBAU-UHFFFAOYSA-N Synonym: 4-trifluoromethylsulfony phenylacetic acid,2-4-trifluoromethyl sulfonyl phenyl acetic acid,4-trifluoromethanesulfonylphenyl acetic acid,4-trifluoromethylsulfonyl phenylacetic acid,4-trifluoromethanesulfonyl phenyl acetic acid PubChem CID: 40427164 IUPAC Name: 2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)S(=O)(=O)C(F)(F)F

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PubChem CID	40427164
CAS	1099597-82-6
Molecular Weight (g/mol)	268.206
MDL Number	MFCD04973012
SMILES	C1=CC(=CC=C1CC(=O)O)S(=O)(=O)C(F)(F)F
Synonym	4-trifluoromethylsulfony phenylacetic acid,2-4-trifluoromethyl sulfonyl phenyl acetic acid,4-trifluoromethanesulfonylphenyl acetic acid,4-trifluoromethylsulfonyl phenylacetic acid,4-trifluoromethanesulfonyl phenyl acetic acid
IUPAC Name	2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid
InChI Key	FIEUCHICQSJBAU-UHFFFAOYSA-N
Molecular Formula	C9H7F3O4S

Thiamphenicol, 98%, Thermo Scientific Chemicals

CAS: 15318-45-3 Molecular Formula: C₁₂H₁₅ClNO₅S Molecular Weight (g/mol): 356.22 InChI Key: OTVAEFIXJLOWRX-NXEZZACHSA-N Synonym: thiamphenicol,thiophenicol,thiamcol,+-thiamphenicol,raceophenidol,thiocymetin,dextrosulphenidol,thiamphenicolum,d-thiocymetin,d-thiophenicol PubChem CID: 27200 ChEBI: CHEBI:32215 IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O

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PubChem CID	27200
CAS	15318-45-3
Molecular Weight (g/mol)	356.22
ChEBI	CHEBI:32215
SMILES	CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O
Synonym	thiamphenicol,thiophenicol,thiamcol,+-thiamphenicol,raceophenidol,thiocymetin,dextrosulphenidol,thiamphenicolum,d-thiocymetin,d-thiophenicol
IUPAC Name	2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
InChI Key	OTVAEFIXJLOWRX-NXEZZACHSA-N
Molecular Formula	C₁₂H₁₅ClNO₅S

Dapsone, USP, 98-102%, Spectrum™ Chemical

CAS: 80-08-0 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.30 InChI Key: MQJKPEGWNLWLTK-UHFFFAOYSA-N IUPAC Name: 4-(4-aminobenzenesulfonyl)aniline SMILES: NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1

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CAS	80-08-0
Molecular Weight (g/mol)	248.30
SMILES	NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1
IUPAC Name	4-(4-aminobenzenesulfonyl)aniline
InChI Key	MQJKPEGWNLWLTK-UHFFFAOYSA-N
Molecular Formula	C12H12N2O2S

Phenyl trans-beta-styryl sulfone, 96%

CAS: 16212-06-9 Molecular Formula: C14H12O2S Molecular Weight (g/mol): 244.308 MDL Number: MFCD00159177 InChI Key: DNMCCXFLTURVLK-VAWYXSNFSA-N Synonym: phenyl trans-styryl sulfone,phenyl styryl sulfone,sulfone, phenyl styryl,phenyl trans-styryl sulphone,phenyl 2-phenylvinyl sulfone,benzene, 2-phenylethenyl sulfonyl,e-2-benzenesulfonyl ethenyl benzene,1e-2-phenylvinyl sulfonyl benzene,styrylsulfonylbenzene,e-2-phenylethenyl sulphonylbenzene PubChem CID: 736143 IUPAC Name: [(E)-2-(benzenesulfonyl)ethenyl]benzene SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)C2=CC=CC=C2

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PubChem CID	736143
CAS	16212-06-9
Molecular Weight (g/mol)	244.308
MDL Number	MFCD00159177
SMILES	C1=CC=C(C=C1)C=CS(=O)(=O)C2=CC=CC=C2
Synonym	phenyl trans-styryl sulfone,phenyl styryl sulfone,sulfone, phenyl styryl,phenyl trans-styryl sulphone,phenyl 2-phenylvinyl sulfone,benzene, 2-phenylethenyl sulfonyl,e-2-benzenesulfonyl ethenyl benzene,1e-2-phenylvinyl sulfonyl benzene,styrylsulfonylbenzene,e-2-phenylethenyl sulphonylbenzene
IUPAC Name	[(E)-2-(benzenesulfonyl)ethenyl]benzene
InChI Key	DNMCCXFLTURVLK-VAWYXSNFSA-N
Molecular Formula	C14H12O2S

2-(Methylsulfonyl)phenol, 98%

CAS: 27489-33-4 Molecular Formula: C₇H₈O₃S Molecular Weight (g/mol): 172.2 InChI Key: ZWTZHHHSRDUVRT-UHFFFAOYSA-N PubChem CID: 598998 IUPAC Name: 2-methylsulfonylphenol SMILES: CS(=O)(=O)C1=CC=CC=C1O

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PubChem CID	598998
CAS	27489-33-4
Molecular Weight (g/mol)	172.2
SMILES	CS(=O)(=O)C1=CC=CC=C1O
IUPAC Name	2-methylsulfonylphenol
InChI Key	ZWTZHHHSRDUVRT-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₃S

4-(Trifluoromethylsulfonyl)benzonitrile, 97+%

CAS: 312-21-0 Molecular Formula: C8H4F3NO2S Molecular Weight (g/mol): 235.18 MDL Number: MFCD01631631 InChI Key: UHCGSMMNICMDIX-UHFFFAOYSA-N Synonym: 4-trifluoromethylsulfonyl benzonitrile,4-trifluoromethyl sulfonyl benzonitrile,4-trifluoromethanesulfonyl benzonitrile,4-trifluoromethanesulfonylbenzonitrile,4-trifluoromethyl sulfonyl benzenecarbonitrile,acmc-1clj3,4-trifluoromethanesulphonylbenzonitrile,4-trifluoromethylsulfonyl benzonitril PubChem CID: 2777824 IUPAC Name: 4-(trifluoromethylsulfonyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)S(=O)(=O)C(F)(F)F

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PubChem CID	2777824
CAS	312-21-0
Molecular Weight (g/mol)	235.18
MDL Number	MFCD01631631
SMILES	C1=CC(=CC=C1C#N)S(=O)(=O)C(F)(F)F
Synonym	4-trifluoromethylsulfonyl benzonitrile,4-trifluoromethyl sulfonyl benzonitrile,4-trifluoromethanesulfonyl benzonitrile,4-trifluoromethanesulfonylbenzonitrile,4-trifluoromethyl sulfonyl benzenecarbonitrile,acmc-1clj3,4-trifluoromethanesulphonylbenzonitrile,4-trifluoromethylsulfonyl benzonitril
IUPAC Name	4-(trifluoromethylsulfonyl)benzonitrile
InChI Key	UHCGSMMNICMDIX-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO2S

Methyl phenylsulfonylacetate, 98%

CAS: 34097-60-4 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00007555 InChI Key: NLEAIFBNKPYTGN-UHFFFAOYSA-N PubChem CID: 555619 IUPAC Name: methyl 2-(benzenesulfonyl)acetate SMILES: COC(=O)CS(=O)(=O)C1=CC=CC=C1

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PubChem CID	555619
CAS	34097-60-4
Molecular Weight (g/mol)	214.235
MDL Number	MFCD00007555
SMILES	COC(=O)CS(=O)(=O)C1=CC=CC=C1
IUPAC Name	methyl 2-(benzenesulfonyl)acetate
InChI Key	NLEAIFBNKPYTGN-UHFFFAOYSA-N
Molecular Formula	C9H10O4S

Allyl phenyl sulfone, 98%

CAS: 16212-05-8 Molecular Formula: C9H10O2S Molecular Weight (g/mol): 182.237 MDL Number: MFCD00014739 InChI Key: KYPIULIVYSQNNT-UHFFFAOYSA-N Synonym: allyl phenyl sulfone,benzene, 2-propenylsulfonyl,allylsulfonyl benzene,phenyl allyl sulfone,sulfone, allyl phenyl,allylsulphonyl benzene,allylphenyl sulfone,3-phenylsulfonyl-1-propene,benzene, 2-propen-1-ylsulfonyl PubChem CID: 85330 IUPAC Name: prop-2-enylsulfonylbenzene SMILES: C=CCS(=O)(=O)C1=CC=CC=C1

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PubChem CID	85330
CAS	16212-05-8
Molecular Weight (g/mol)	182.237
MDL Number	MFCD00014739
SMILES	C=CCS(=O)(=O)C1=CC=CC=C1
Synonym	allyl phenyl sulfone,benzene, 2-propenylsulfonyl,allylsulfonyl benzene,phenyl allyl sulfone,sulfone, allyl phenyl,allylsulphonyl benzene,allylphenyl sulfone,3-phenylsulfonyl-1-propene,benzene, 2-propen-1-ylsulfonyl
IUPAC Name	prop-2-enylsulfonylbenzene
InChI Key	KYPIULIVYSQNNT-UHFFFAOYSA-N
Molecular Formula	C9H10O2S

4-Methylsulphonyl benzonitrile, 95%, Thermo Scientific™

CAS: 22821-76-7 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.21 MDL Number: MFCD00216489 InChI Key: FARXIDYHJAANGP-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzonitrile,4-methanesulfonyl-benzonitrile,4-methanesulfonylbenzonitrile,benzonitrile, 4-methylsulfonyl,benzonitrile, p-methylsulfonyl,4-methylsulfonyl benzenecarbonitrile,4-mesylbenzonitrile,maybridge3_003168,p-methylsulfonylbenzonitrile,4-methylsulphonylbenzonitrile PubChem CID: 519981 IUPAC Name: 4-methylsulfonylbenzonitrile SMILES: CS(=O)(=O)C1=CC=C(C=C1)C#N

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PubChem CID	519981
CAS	22821-76-7
Molecular Weight (g/mol)	181.21
MDL Number	MFCD00216489
SMILES	CS(=O)(=O)C1=CC=C(C=C1)C#N
Synonym	4-methylsulfonyl benzonitrile,4-methanesulfonyl-benzonitrile,4-methanesulfonylbenzonitrile,benzonitrile, 4-methylsulfonyl,benzonitrile, p-methylsulfonyl,4-methylsulfonyl benzenecarbonitrile,4-mesylbenzonitrile,maybridge3_003168,p-methylsulfonylbenzonitrile,4-methylsulphonylbenzonitrile
IUPAC Name	4-methylsulfonylbenzonitrile
InChI Key	FARXIDYHJAANGP-UHFFFAOYSA-N
Molecular Formula	C8H7NO2S

Benzenesulfonyl compounds

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