2-[(3-Aminopyridine-2-sulfonyl)methyl]benzonitrile
Basic information
- CAS
1306678-24-9- Standard SMILES
N#Cc1ccccc1CS(=O)(=O)c1ncccc1N- InChIKey
DOLZBKSJUDBYOD-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.05719778
Names & identifiers
- Preferred name
- 2-[(3-Aminopyridine-2-sulfonyl)methyl]benzonitrile
- IUPAC
- 2-[(3-amino-2-pyridinyl)sulfonylmethyl]benzonitrile
Names & synonyms
DTXSID901202860AKOS0106258502-[(3-Aminopyridine-2-sulfonyl)methyl]benzonitrileBenzonitrile, 2-[[(3-amino-2-pyridinyl)sulfonyl]methyl]-1306678-24-9
Database identifiers
- CAS
1306678-24-9- PubChem CID
- 61368413
- DTXSID
DTXSID901202860
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 448
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Related reactions
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Compound notes
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