N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide
N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8011-5553 |
| Compound Name: | N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C11 H13 N5 O4 S2 |
| Smiles: | Cn1cnnc1SCCNS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8321 |
| logD: | 0.8321 |
| logSw: | -2.4249 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.985 |
| InChI Key: | CYHGOVXWKAFDDU-UHFFFAOYSA-N |