3-{2-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]acetamido}benzoic acid
Chemical Structure Depiction of
3-{2-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]acetamido}benzoic acid
3-{2-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 8013-1392 |
| Compound Name: | 3-{2-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]acetamido}benzoic acid |
| Molecular Weight: | 421.78 |
| Molecular Formula: | C16 H11 Cl F3 N O5 S |
| Smiles: | C(C(Nc1cccc(c1)C(O)=O)=O)S(c1ccc(cc1[Cl])C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7766 |
| logD: | 0.8907 |
| logSw: | -4.0255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.561 |
| InChI Key: | DEELODXQNYZMOV-UHFFFAOYSA-N |