Basic information
- Standard SMILES
CSc1ccc(NC(C#N)c2ccc(S(N)(=O)=O)cc2)cc1- InChIKey
UZLGWKORWMZCOU-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2S2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.06056908
Names & identifiers
- Preferred name
- alpha-(4-Methylthioanilino)-alpha-(4-sulfamoylphenyl)acetonitrile
- IUPAC
- 4-[cyano-(4-methylsulfanylanilino)methyl]benzenesulfonamide
Names & synonyms
SCHEMBL5311480UZLGWKORWMZCOU-UHFFFAOYSA-Nalpha-(4-Methylthioanilino)-alpha-(4-sulfamoylphenyl)acetonitrile
Database identifiers
- PubChem CID
- 21862767
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 493
Related reactions
2 records
Compound notes
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