3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzene-1-sulfonamide
Chemical Structure Depiction of
3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzene-1-sulfonamide
3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M346-0296 |
| Compound Name: | 3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzene-1-sulfonamide |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C16 H13 N5 O2 S |
| Smiles: | C(c1ccc(cc1)NS(c1cccc(C#N)c1)(=O)=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 1.3556 |
| logD: | 1.3338 |
| logSw: | -2.3079 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.921 |
| InChI Key: | ZTHXNBPDMLDCQD-UHFFFAOYSA-N |