4-{1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Chemical Structure Depiction of
4-{1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
4-{1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Compound characteristics
| Compound ID: | 8009-7345 |
| Compound Name: | 4-{1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid |
| Molecular Weight: | 475.4 |
| Molecular Formula: | C22 H12 F3 N O6 S |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.5588 |
| logD: | 1.501 |
| logSw: | -4.4994 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.789 |
| InChI Key: | CNXGNVFGCGWHHO-UHFFFAOYSA-N |