5-bromo-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiophene-2-sulfonamide
Chemical Structure Depiction of
5-bromo-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiophene-2-sulfonamide
5-bromo-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | Y502-9266 |
| Compound Name: | 5-bromo-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiophene-2-sulfonamide |
| Molecular Weight: | 451.72 |
| Molecular Formula: | C13 H9 Br Cl F N4 O2 S2 |
| Smiles: | C(c1ccc(cc1[Cl])F)n1cnc(NS(c2ccc(s2)[Br])(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0689 |
| logD: | 2.7278 |
| logSw: | -4.2502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.128 |
| InChI Key: | QQSHZXRFNPTIRX-UHFFFAOYSA-N |