N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | 8016-9211 |
| Compound Name: | N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 501.48 |
| Molecular Formula: | C24 H18 F3 N3 O4 S |
| Smiles: | C1COc2cc(ccc2O1)S(Nc1ccc(cc1)c1cc(C(F)(F)F)nn1c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5474 |
| logD: | 4.5472 |
| logSw: | -4.5489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.534 |
| InChI Key: | PWHOESILXFEIRI-UHFFFAOYSA-N |