4-[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 8004-8896 |
| Compound Name: | 4-[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 423.4 |
| Molecular Formula: | C21 H13 N O7 S |
| Smiles: | c1cc(ccc1C(O)=O)S(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0825 |
| logD: | 0.0247 |
| logSw: | -3.4588 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.406 |
| InChI Key: | YZXUALRIOJRHRR-UHFFFAOYSA-N |