4-[3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzene-1-sulfonamide
4-[3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8016-9242 |
| Compound Name: | 4-[3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzene-1-sulfonamide |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C13 H13 Cl N6 O2 S2 |
| Smiles: | CCn1cc(c(c2nnc(n2c2ccc(cc2)S(N)(=O)=O)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.7312 |
| logD: | -0.1597 |
| logSw: | -2.4726 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.109 |
| InChI Key: | ITINJLPXIWWFQR-UHFFFAOYSA-N |