N-{5-[(3-chloro-4-fluorophenyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide
Chemical Structure Depiction of
N-{5-[(3-chloro-4-fluorophenyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide
N-{5-[(3-chloro-4-fluorophenyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide
Compound characteristics
| Compound ID: | M004-0212 |
| Compound Name: | N-{5-[(3-chloro-4-fluorophenyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide |
| Molecular Weight: | 476.93 |
| Molecular Formula: | C20 H14 Cl F N4 O3 S2 |
| Smiles: | [H]c1cc2c(cc1NC(Nc1ccc(c(c1)[Cl])F)=O)nc(NS(c1ccccc1)(=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.7988 |
| logD: | 5.3978 |
| logSw: | -6.0622 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.952 |
| InChI Key: | GXHHDJNSYAFGBW-UHFFFAOYSA-N |