Cas no 1001070-50-3 (1-(Phenylsulphonyl)-5-methyl-7-azaindole)

1-(Phenylsulphonyl)-5-methyl-7-azaindole structure
1001070-50-3 structure
Product Name:1-(Phenylsulphonyl)-5-methyl-7-azaindole
CAS No:1001070-50-3
MF:C14H12N2O2S
MW:272.322281837463
CID:832946
PubChem ID:49759065
Update Time:2024-11-04

1-(Phenylsulphonyl)-5-methyl-7-azaindole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine, 5-methyl-1-(phenylsulfonyl)-
    • 1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine
    • 1-(Phenylsulphonyl)-5-methyl-7-azaindole
    • 1-benzenesulfonyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
    • 1H-PYRROLO[2,3-B]PYRIDINE,5-METHYL-1-(PHENYLSULFONYL)
    • 1-(phenylsulfonyl)-5-methyl-7-azaindole
    • 5-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
    • 5-Methyl-1-(phenylsulfonyl)-1H-Pyrrolo[2,3-b]pyridine
    • BQB07050
    • BYOCVLCQUZBHNT-UHFFFAOYSA-N
    • 1-(Benzenesulfonyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine
    • DTXSID60678002
    • AS-0761
    • SCHEMBL1958833
    • 1001070-50-3
    • Inchi: 1S/C14H12N2O2S/c1-11-9-12-7-8-16(14(12)15-10-11)19(17,18)13-5-3-2-4-6-13/h2-10H,1H3
    • InChI Key: BYOCVLCQUZBHNT-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(N1C=CC2=CC(C)=CN=C12)(=O)=O

Computed Properties

  • Exact Mass: 272.06200
  • Monoisotopic Mass: 272.062
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 412
  • 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
  • Topological Polar Surface Area: 60.3A^2
  • XLogP3: 2.9

Experimental Properties

  • PSA: 60.34000
  • LogP: 3.66250

1-(Phenylsulphonyl)-5-methyl-7-azaindole Pricemore >>

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