N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethylbenzene-1-sulfonamide
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D439-0404 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C17 H17 Cl N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ncn(Cc2ccc(cc2)[Cl])n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8505 |
| logD: | 1.2312 |
| logSw: | -4.1797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.11 |
| InChI Key: | POBMMENJWHEGKW-UHFFFAOYSA-N |