1H-Pyrrolo[2,3-B]pyridine-4-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-
Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(C#N)ccnc32)cc1- InChIKey
NUMXATTZBJKUED-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2S
- Average molar mass
- 297.3 g/mol
Names & identifiers
- Preferred name
- 1H-Pyrrolo[2,3-B]pyridine-4-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-
- IUPAC
- 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carbonitrile
Names & synonyms
348640-92-61H-PYRROLO[2,3-B]PYRIDINE-4-CARBONITRILE, 1-[(4-METHYLPHENYL)SULFONYL]-SCHEMBL1749083NUMXATTZBJKUED-UHFFFAOYSA-N1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile,1-[(4-methylphenyl)sulfonyl]-4-Cyano-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine1-(toluene-4-sulfonyl)-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
Database identifiers
- PubChem CID
- 22477288
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 525
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Related reactions
6 records
Compound notes
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