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Benzenesulfonyl compounds
Description:
Aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
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3-(Phenylsulfonyl)pyrrolidineCas Number: 101769-04-4 Compound CID: 3614203Formula: C10H13NO2S Molecular Weight: 211.28IUPAC Name: 3-(benzenesulfonyl)pyrrolidineSMILES: C1CNCC1S(=O)(=O)C2=CC=CC=C2InChIKey: LHGKEGUGTRSIKW-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 -
2-[2-(Methylsulfonyl)phenyl]acetic AcidCas Number: 142336-20-7 Compound CID: 13689658Formula: C9H10O4S Molecular Weight: 214.24IUPAC Name: 2-(2-methylsulfonylphenyl)acetic acidSMILES: CS(=O)(=O)C1=CC=CC=C1CC(=O)OInChIKey: HHYARTYRXSPXKG-UHFFFAOYSA-NInChI: InChI=1S/C9H10O4S/c1-14(12,13)8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
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2-Cyano-5-methoxybenzene-1-sulfonyl chlorideCas Number: 1261573-04-9 Compound CID: 55279126Formula: C8H6ClNO3S Molecular Weight: 231.65IUPAC Name: 2-cyano-5-methoxybenzenesulfonyl chlorideSMILES: COC1=CC(=C(C=C1)C#N)S(=O)(=O)ClInChIKey: CFOVDTUMIVSQGA-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClNO3S/c1-13-7-3-2-6(5-10)8(4-7)14(9,11)12/h2-4H,1H3
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2-Ethoxy-benzenesulfonyl chlorideCas Number: 68800-33-9 Compound CID: 18944993IUPAC Name: 2-ethoxybenzenesulfonyl chlorideSMILES: CCOC1=CC=CC=C1S(=O)(=O)ClInChIKey: RWURYJNJYODVAL-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO3S/c1-2-12-7-5-3-4-6-8(7)13(9,10)11/h3-6H,2H2,1H3
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2-(Methylsulfonyl)benzyl AlcoholCas Number: 864265-08-7 Compound CID: 22050773Formula: C8H10O3S Molecular Weight: 186.23IUPAC Name: (2-methylsulfonylphenyl)methanolSMILES: CS(=O)(=O)C1=CC=CC=C1COInChIKey: RKXFAGRISWUJGO-UHFFFAOYSA-NInChI: InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
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2-(Methylsulfonyl)benzonitrileCas Number: 89942-56-3 Compound CID: 22346290Formula: C8H7NO2S Molecular Weight: 181.21IUPAC Name: 2-methylsulfonylbenzonitrileSMILES: CS(=O)(=O)C1=CC=CC=C1C#NInChIKey: SLNZDFDPYBTIHA-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,1H3
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2-(Methylsulfonyl)benzyl BromideCas Number: 82657-74-7 Compound CID: 18922474Formula: C8H9BrO2S Molecular Weight: 249.13IUPAC Name: 1-(bromomethyl)-2-methylsulfonylbenzeneSMILES: CS(=O)(=O)C1=CC=CC=C1CBrInChIKey: ZBLBWTFICJOODX-UHFFFAOYSA-NInChI: InChI=1S/C8H9BrO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
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2-(4-(Isopropylsulfonyl)phenyl)-4，4，5，5-tetramethyl-1，3，2-dioxaborolaneCas Number: 1256359-13-3 Compound CID: 53217101Formula: C15H23BO4S Molecular Weight: 310.22IUPAC Name: 4,4,5,5-tetramethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3,2-dioxaborolaneSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C(C)CInChIKey: RWBDNARNSLCEFV-UHFFFAOYSA-NInChI: InChI=1S/C15H23BO4S/c1-11(2)21(17,18)13-9-7-12(8-10-13)16-19-14(3,4)15(5,6)20-16/h7-11H,1-6H3
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1-Fluoro-3-(methylsulfonyl)benzeneCas Number: 657-46-5 Compound CID: 21730266Formula: C7H7FO2S Molecular Weight: 174.19IUPAC Name: 1-fluoro-3-methylsulfonylbenzeneSMILES: CS(=O)(=O)C1=CC=CC(=C1)FInChIKey: JTKXOVHBLURUOP-UHFFFAOYSA-NInChI: InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
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1-Bromo-2-(isopropanesulfonyl)benzeneCas Number: 900174-43-8 Compound CID: 22953612Formula: C9H11BrO2S Molecular Weight: 263.15IUPAC Name: 1-bromo-2-propan-2-ylsulfonylbenzeneSMILES: CC(C)S(=O)(=O)C1=CC=CC=C1BrInChIKey: YILCKJNKWXELKU-UHFFFAOYSA-NInChI: InChI=1S/C9H11BrO2S/c1-7(2)13(11,12)9-6-4-3-5-8(9)10/h3-7H,1-2H3
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1-Bromo-4-(isopropylsulfonyl)benzeneFormula: C9H11BrO2S Molecular Weight: 263.15IUPAC Name: 1-bromo-4-propan-2-ylsulfonylbenzeneSMILES: CC(C)S(=O)(=O)C1=CC=C(C=C1)BrInChIKey: WQZTWNHNXOSAAR-UHFFFAOYSA-NInChI: InChI=1S/C9H11BrO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3
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(4-(Isopentylsulfonyl)phenyl)boronic acidCas Number: 1217500-93-0 Compound CID: 46739626Formula: C11H17BO4S Molecular Weight: 256.13IUPAC Name: [4-(3-methylbutylsulfonyl)phenyl]boronic acidSMILES: B(C1=CC=C(C=C1)S(=O)(=O)CCC(C)C)(O)OInChIKey: KKKVMNLHOXHWHZ-UHFFFAOYSA-NInChI: InChI=1S/C11H17BO4S/c1-9(2)7-8-17(15,16)11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
