Cas no 1186501-75-6 (3-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine)

3-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine structure
1186501-75-6 structure
Product Name:3-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CAS No:1186501-75-6
MF:C13H10IN3O2S
MW:399.206873416901
CID:833602
Update Time:2023-08-03

3-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridin-5-aMine, 3-iodo-1-(phenylsulfonyl)-
    • 1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-amine
    • 1H-Pyrrolo[2,3-b]pyridin-5-amine,3-iodo-1-(phenylsulfonyl)-
    • C13H10IN3O2S
    • NBHIMFHNKRQVMM-UHFFFAOYSA-N
    • 3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
    • 5-amino-1-benzenesulfonyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
    • 3-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
    • Inchi: 1S/C13H10IN3O2S/c14-12-8-17(13-11(12)6-9(15)7-16-13)20(18,19)10-4-2-1-3-5-10/h1-8H,15H2
    • InChI Key: NBHIMFHNKRQVMM-UHFFFAOYSA-N
    • SMILES: IC1=CN(C2C1=CC(=CN=2)N)S(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 447
  • Topological Polar Surface Area: 86.4
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