Cas no 923583-80-6 (1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-methoxy-1-(phenylsulfonyl)-)

1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-methoxy-1-(phenylsulfonyl)- structure
923583-80-6 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-methoxy-1-(phenylsulfonyl)-
CAS No:923583-80-6
MF:C14H11IN2O3S
MW:414.218214273453
CID:736706
PubChem ID:59128707
Update Time:2025-04-19

1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-methoxy-1-(phenylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-methoxy-1-(phenylsulfonyl)-
    • 1-(benzenesulfonyl)-3-iodo-5-methoxypyrrolo[2,3-b]pyridine
    • 1-Benzenesulfonyl-3-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine
    • 923583-80-6
    • 1H-Pyrrolo[2,3-b]pyridine,3-iodo-5-methoxy-1-(phenylsulfonyl)-
    • SCHEMBL1268099
    • 3-IODO-5-METHOXY-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
    • DTXSID10731050
    • 1-benzene sulfonyl-3-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine
    • 1-(Benzenesulfonyl)-3-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine
    • XASFIJCEMNQLQI-UHFFFAOYSA-N
    • Inchi: 1S/C14H11IN2O3S/c1-20-10-7-12-13(15)9-17(14(12)16-8-10)21(18,19)11-5-3-2-4-6-11/h2-9H,1H3
    • InChI Key: XASFIJCEMNQLQI-UHFFFAOYSA-N
    • SMILES: IC1=CN(C2C1=CC(=CN=2)OC)S(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 413.95351g/mol
  • Monoisotopic Mass: 413.95351g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 461
  • 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: 3.1
  • Topological Polar Surface Area: 69.6?2
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