Cas no 231295-53-7 (6-Chloro-1-(phenylsulfonyl)-1H-indole)

6-Chloro-1-(phenylsulfonyl)-1H-indole structure
231295-53-7 structure
Product Name:6-Chloro-1-(phenylsulfonyl)-1H-indole
CAS No:231295-53-7
MF:C14H10ClNO2S
MW:291.752701282501
CID:1036360
PubChem ID:506828
Update Time:2025-04-20

6-Chloro-1-(phenylsulfonyl)-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-1-(phenylsulfonyl)-1H-indole
    • 1-(benzenesulfonyl)-6-chloroindole
    • 6-Chloro-1-phenylsulfonylindole
    • IQYMLNDUYIJTKH-UHFFFAOYSA-N
    • DB-108019
    • CHEMBL312545
    • 231295-53-7
    • G61983
    • 1H-Indole, 6-chloro-1-(phenylsulfonyl)-
    • SCHEMBL424532
    • 1-(benzenesulfonyl)-6-chloro-1H-indole
    • 1-(benzenesulfonyl)-6-chloro-indole
    • DTXSID40333460
    • Inchi: 1S/C14H10ClNO2S/c15-12-7-6-11-8-9-16(14(11)10-12)19(17,18)13-4-2-1-3-5-13/h1-10H
    • InChI Key: IQYMLNDUYIJTKH-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2C=CN(C=2C=1)S(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 291.0122
  • Monoisotopic Mass: 291.0120774g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 414
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 47.4?2

Experimental Properties

  • PSA: 39.07

6-Chloro-1-(phenylsulfonyl)-1H-indole Pricemore >>

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