N-{4-bromo-1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3,4-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-bromo-1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3,4-dimethylbenzene-1-sulfonamide
N-{4-bromo-1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3,4-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y205-1097 |
| Compound Name: | N-{4-bromo-1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3,4-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 438.32 |
| Molecular Formula: | C18 H17 Br F N3 O2 S |
| Smiles: | Cc1ccc(cc1C)S(Nc1c(cn(Cc2ccccc2F)n1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6337 |
| logD: | 2.4723 |
| logSw: | -4.2768 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.81 |
| InChI Key: | MJBFACYHTGLLNQ-UHFFFAOYSA-N |