N-{1-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
N-{1-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y205-8531 |
| Compound Name: | N-{1-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 393.81 |
| Molecular Formula: | C15 H12 Cl N5 O4 S |
| Smiles: | C(c1cccc(c1)[Cl])n1cnc(NS(c2cccc(c2)[N+]([O-])=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9097 |
| logD: | -0.2558 |
| logSw: | -3.5896 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.491 |
| InChI Key: | TYPPYJXNCNTEJI-UHFFFAOYSA-N |