Basic information
- Standard SMILES
Cc1ccc(C(C#N)Nc2ccc(S(N)(=O)=O)cc2)cc1C- InChIKey
PXLOUFUKBMHSRI-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.10414797
Names & identifiers
- Preferred name
- alpha-(3,4-Dimethylphenyl)-alpha-(4-sulfamoylanilino)acetonitrile
- IUPAC
- 4-[[cyano-(3,4-dimethylphenyl)methyl]amino]benzenesulfonamide
Names & synonyms
SCHEMBL5310551PXLOUFUKBMHSRI-UHFFFAOYSA-Nalpha-(3,4-Dimethylphenyl)-alpha-(4-sulfamoylanilino)acetonitrile
Database identifiers
- PubChem CID
- 21862877
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 511
Related reactions
2 records
Compound notes
Loading…