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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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  1. 2-Bromo-5-nitrobenzenesulfonyl chloride
      Grade & Purity: 
    • ≥95%
    Cas Number: 98130-55-3        Compound CID:  4738384
    Formula:  C6H3BrClNO4S        Molecular Weight: 300.51
    IUPAC Name:  2-bromo-5-nitrobenzenesulfonyl chloride
    SMILES:  C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)Cl)Br
    InChIKey: OGKGGBNPVRGQQN-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H3BrClNO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H
  2. 2-Bromo-5-fluorobenzene-1-sulfonyl chloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 771-67-5        Compound CID:  50998641
    Formula:  C6H3BrClFO2S        Molecular Weight: 273.51
    IUPAC Name:  2-bromo-5-fluorobenzenesulfonyl chloride
    SMILES:  C1=CC(=C(C=C1F)S(=O)(=O)Cl)Br
    InChIKey: JUJFSUADOZWKSR-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H3BrClFO2S/c7-5-2-1-4(9)3-6(5)12(8,10)11/h1-3H
  3. 2-(Ethylsulfonyl)benzoicacid
      Grade & Purity: 
    • ≥98%
    Cas Number: 161058-27-1        Compound CID:  4777982
    Formula:  C9H10O4S        Molecular Weight: 214.24
    IUPAC Name:  2-ethylsulfonylbenzoic acid
    SMILES:  CCS(=O)(=O)C1=CC=CC=C1C(=O)O
    InChIKey: AHYZXIUNHHXCHO-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H10O4S/c1-2-14(12,13)8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
  4. 2-(Ethylsulfonyl)aniline
      Grade & Purity: 
    • ≥95%
    Cas Number: 31596-87-9        Compound CID:  12646362
    IUPAC Name:  2-ethylsulfonylaniline
    SMILES:  CCS(=O)(=O)C1=CC=CC=C1N
    InChIKey: SIIUERHMYOPFQH-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H11NO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
  5. 2-((4-Methoxyphenyl)sulfonyl)acetic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 3937-99-3        Compound CID:  6496751
    Formula:  C9H10O5S        Molecular Weight: 230.24
    IUPAC Name:  2-(4-methoxyphenyl)sulfonylacetic acid
    SMILES:  COC1=CC=C(C=C1)S(=O)(=O)CC(=O)O
    InChIKey: ULPRUSMQMAGYSC-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H10O5S/c1-14-7-2-4-8(5-3-7)15(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
  6. 1-(Chloromethyl)-4-(methylsulfonyl)benzene
      Grade & Purity: 
    • ≥98%
    Cas Number: 40517-43-9        Compound CID:  123530
    Formula:  C8H9O2SCl        Molecular Weight: 204.67
    IUPAC Name:  1-(chloromethyl)-4-methylsulfonylbenzene
    SMILES:  CS(=O)(=O)C1=CC=C(C=C1)CCl
    InChIKey: LXPRVXKHIXWBJZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H9ClO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
  7. 1-(4-(Methylsulfonyl)Phenyl)Cyclopropanamine
      Grade & Purity: 
    • ≥98%
    Cas Number: 1038389-00-2        Compound CID:  59588604
    IUPAC Name:  1-(4-methylsulfonylphenyl)cyclopropan-1-amine
    SMILES:  CS(=O)(=O)C1=CC=C(C=C1)C2(CC2)N
    InChIKey: VMIRVFOWEKTRJF-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H13NO2S/c1-14(12,13)9-4-2-8(3-5-9)10(11)6-7-10/h2-5H,6-7,11H2,1H3
  8. Sultopride
    Cas Number: 53583-79-2        EC Number: 258-641-9
    Formula:  C17H26N2O4S        Molecular Weight: 354.46
    IUPAC Name:  N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
    SMILES:  CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
    InChIKey: UNRHXEPDKXPRTM-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
    Synonyms: LIN-1418 | Sultopridum | LIN1418 | LIN 1418
  9. Phenyl isopropyl sulfone
      Grade & Purity: 
    • ≥98%
    Cas Number: 4238-09-9        Compound CID:  199476
    Formula:  C9H12O2S        Molecular Weight: 184.26
    IUPAC Name:  propan-2-ylsulfonylbenzene
    SMILES:  CC(C)S(=O)(=O)C1=CC=CC=C1
    InChIKey: IJTSQCOXRMHSCS-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H12O2S/c1-8(2)12(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3
  10. Florfenicol amine
      Grade & Purity: 
    • ≥98%
    Cas Number: 76639-93-5        Compound CID:  156406
    IUPAC Name:  (1R,2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
    SMILES:  CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)N)O
    InChIKey: XLSYLQDVLAXIKK-NXEZZACHSA-N
    InChI:  InChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10-/m1/s1
  11. 4,4'-Sulfonylbis(methoxybenzene)
      Grade & Purity: 
    • ≥95%
    Cas Number: 3112-80-9        Compound CID:  238615
    Formula:  C14H14O4S        Molecular Weight: 278.33
    IUPAC Name:  1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene
    SMILES:  COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC
    InChIKey: WXPWTKPQXYLOJH-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H14O4S/c1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14/h3-10H,1-2H3
  12. 4-((4-Chlorophenyl)sulfonyl)aniline
      Grade & Purity: 
    • ≥97%
    Cas Number: 7146-68-1        Compound CID:  229818
    Formula:  C12H10ClNO2S        Molecular Weight: 267.73
    IUPAC Name:  4-(4-chlorophenyl)sulfonylaniline
    SMILES:  C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)Cl
    InChIKey: RWIUBJDOESNTFZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H10ClNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2
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