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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. 4-Bromo-1-methyl-2-(methylsulfonyl)benzene
      Grade & Purity: 
    • ≥96%
    Cas Number: 254887-17-7        Compound CID:  2761056
    Formula:  C8H9O2SBr        Molecular Weight: 249.12
    IUPAC Name:  4-bromo-1-methyl-2-methylsulfonylbenzene
    SMILES:  CC1=C(C=C(C=C1)Br)S(=O)(=O)C
    InChIKey: SRYXZVWRMOFVCO-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H9BrO2S/c1-6-3-4-7(9)5-8(6)12(2,10)11/h3-5H,1-2H3
  2. 4-Bromo-2-(methylsulfonyl)benzaldehyde
      Grade & Purity: 
    • ≥97%
    Cas Number: 849035-77-4        Compound CID:  2761076
    Formula:  C8H7BrO3S        Molecular Weight: 263.12
    IUPAC Name:  4-bromo-2-methylsulfonylbenzaldehyde
    SMILES:  CS(=O)(=O)C1=C(C=CC(=C1)Br)C=O
    InChIKey: KMXMXSSAUZKLCE-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7BrO3S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
  3. 4-(benzenesulfonyl)aniline
      Grade & Purity: 
    • ≥98%
    Cas Number: 7019-01-4        Compound CID:  516666
    Formula:  C12H11NO2S        Molecular Weight: 233.29
    IUPAC Name:  4-(benzenesulfonyl)aniline
    SMILES:  C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
    InChIKey: GDYFDXDATVPPDR-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H11NO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H,13H2
  4. 4-(Trifluoromethylsulfonyl)benzonitrile
      Grade & Purity: 
    • ≥97%
    Cas Number: 312-21-0        Compound CID:  2777824
    Formula:  C8H4F3NO2S        Molecular Weight: 235.19
    IUPAC Name:  4-(trifluoromethylsulfonyl)benzonitrile
    SMILES:  C1=CC(=CC=C1C#N)S(=O)(=O)C(F)(F)F
    InChIKey: UHCGSMMNICMDIX-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H4F3NO2S/c9-8(10,11)15(13,14)7-3-1-6(5-12)2-4-7/h1-4H
  5. 4-(Phenylsulfonyl)benzaldehyde
      Grade & Purity: 
    • ≥97%
    Cas Number: 66-39-7        Compound CID:  14417477
    Formula:  C13H10O3S        Molecular Weight: 246.29
    IUPAC Name:  4-(benzenesulfonyl)benzaldehyde
    SMILES:  C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C=O
    InChIKey: OFZOVFCBBFJMNV-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H10O3S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-10H
  6. 4-(Pent-1-Yl)Benzenesulphonyl Chloride
      Grade & Purity: 
    • ≥99%
    Cas Number: 73948-18-2        Compound CID:  144625
    Formula:  C11H15ClO2S        Molecular Weight: 246.76
    IUPAC Name:  4-pentylbenzenesulfonyl chloride
    SMILES:  CCCCCC1=CC=C(C=C1)S(=O)(=O)Cl
    InChIKey: XDWXZRVWJHEWMT-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H15ClO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3
  7. 4-(Phenylsulfonyl)benzonitrile
      Grade & Purity: 
    • ≥97%
    Cas Number: 28525-13-5        Compound CID:  12273800
    Formula:  C13H9NO2S        Molecular Weight: 243.28
    IUPAC Name:  4-(benzenesulfonyl)benzonitrile
    SMILES:  C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C#N
    InChIKey: LJGXGJNDLQYPQK-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H9NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H
  8. 4-(Methylsulfonyl)benzenecarboximidamide
      Grade & Purity: 
    • ≥98%
    Cas Number: 17574-50-4        Compound CID:  199994
    Formula:  C8H10N2O2S        Molecular Weight: 198.24
    IUPAC Name:  4-methylsulfonylbenzenecarboximidamide
    SMILES:  CS(=O)(=O)C1=CC=C(C=C1)C(=N)N
    InChIKey: ANPBNAUKOUYEGJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
  9. 4-(4-Chloro-benzenesulfonyl)-piperidine hydrochloride
      Grade & Purity: 
    • ≥97%
    Cas Number: 101768-64-3        Compound CID:  2761071
    Formula:  C11H15Cl2NO2S        Molecular Weight: 296.21
    IUPAC Name:  4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride
    SMILES:  C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)Cl.Cl
    InChIKey: SJYLTDPLFVFHFC-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H14ClNO2S.ClH/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
  10. 3,5-Dichloro-4-Hydroxybenzenesulfonyl Chloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 13432-81-0        Compound CID:  2735994
    Formula:  C6H3Cl3O3S        Molecular Weight: 261.51
    IUPAC Name:  3,5-dichloro-4-hydroxybenzenesulfonyl chloride
    SMILES:  C1=C(C=C(C(=C1Cl)O)Cl)S(=O)(=O)Cl
    InChIKey: AELFLPJWVRGXKU-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H3Cl3O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H
  11. 3-Bromo-2-fluorobenzene-1-sulfonyl chloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 1214372-19-6        Compound CID:  56604631
    Formula:  C6H3BrClFO2S        Molecular Weight: 273.51
    IUPAC Name:  3-bromo-2-fluorobenzenesulfonyl chloride
    SMILES:  C1=CC(=C(C(=C1)Br)F)S(=O)(=O)Cl
    InChIKey: HCIVRVSTKMVMGM-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H3BrClFO2S/c7-4-2-1-3-5(6(4)9)12(8,10)11/h1-3H
  12. 3-(phenylsulfonyl)thiophene
      Grade & Purity: 
    • ≥90%
    Cas Number: 16718-05-1        Compound CID:  519297
    Formula:  C10H8O2S2        Molecular Weight: 224.3
    IUPAC Name:  3-(benzenesulfonyl)thiophene
    SMILES:  C1=CC=C(C=C1)S(=O)(=O)C2=CSC=C2
    InChIKey: LGGLKPFTYFIQSY-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H
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