Cas no 1015608-95-3 (1-Benzenesulfonyl-1h-pyrrolo2,3-bpyridine-5-carbonitrile)

1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is a heterocyclic compound featuring a benzenesulfonyl group attached to a pyrrolopyridine core with a nitrile functional group at the 5-position. This structure confers versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it serves as a valuable intermediate for further derivatization. The benzenesulfonyl moiety enhances stability and reactivity, while the nitrile group offers a handle for additional functional group transformations. Its rigid fused-ring system may contribute to binding affinity in biologically active molecules. The compound is typically handled under controlled conditions due to its potential sensitivity. It is primarily utilized in research settings for the development of novel therapeutic agents or functional materials.
1-Benzenesulfonyl-1h-pyrrolo2,3-bpyridine-5-carbonitrile structure
1015608-95-3 structure
Product Name:1-Benzenesulfonyl-1h-pyrrolo2,3-bpyridine-5-carbonitrile
CAS No:1015608-95-3
MF:C14H9N3O2S
MW:283.305161237717
MDL:MFCD09260184
CID:830874
PubChem ID:329771586
Update Time:2025-10-13

1-Benzenesulfonyl-1h-pyrrolo2,3-bpyridine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
    • 1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
    • 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 1-(phenylsulfonyl)-
    • 2-Benzoxazolamine, N-2-pyridinyl-
    • 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
    • 1-(phenylsulfonyl)-5-cyano-7-azaindole
    • 1-(Phenylsulphonyl)-5-cyano-7-azaindole
    • AS-49394
    • AKOS015840608
    • AB49805
    • DTXSID70640139
    • 1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
    • I10014
    • 1015608-95-3
    • 1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile, AldrichCPR
    • DB-029548
    • CS-0005024
    • MFCD09260184
    • SCHEMBL19746194
    • 1-Benzenesulfonyl-1h-pyrrolo2,3-bpyridine-5-carbonitrile
    • MDL： MFCD09260184
    • Inchi： 1S/C14H9N3O2S/c15-9-11-8-12-6-7-17(14(12)16-10-11)20(18,19)13-4-2-1-3-5-13/h1-8,10H
    • InChI Key： UXEJLYXBSSTCEF-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1)(N1C=CC2=CC(C#N)=CN=C12)(=O)=O

Computed Properties

  • Exact Mass: 283.04200
  • Monoisotopic Mass: 283.04154771g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 498
  • 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: 2.2
  • Topological Polar Surface Area: 84.1?2

Experimental Properties

  • PSA: 84.13000
  • LogP: 3.22578

1-Benzenesulfonyl-1h-pyrrolo2,3-bpyridine-5-carbonitrile Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H319
  • Warning Statement： P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22-36
  • Safety Instruction： 26
  • Hazardous Material Identification： Xn

1-Benzenesulfonyl-1h-pyrrolo2,3-bpyridine-5-carbonitrile Pricemore >>

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