4-{2-[(4-chlorophenyl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Chemical Structure Depiction of
4-{2-[(4-chlorophenyl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
4-{2-[(4-chlorophenyl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Compound characteristics
| Compound ID: | 5826-0314 |
| Compound Name: | 4-{2-[(4-chlorophenyl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid |
| Molecular Weight: | 455.87 |
| Molecular Formula: | C22 H14 Cl N O6 S |
| Smiles: | C(c1ccc(cc1)[Cl])N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5059 |
| logD: | 1.448 |
| logSw: | -4.5551 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.4 |
| InChI Key: | CLPISEQWYHLKLY-UHFFFAOYSA-N |