4-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
Chemical Structure Depiction of
4-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
4-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | 5522-0306 |
| Compound Name: | 4-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C22 H15 N O6 S |
| Smiles: | C(c1ccccc1)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9112 |
| logD: | 0.8533 |
| logSw: | -4.0214 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.4 |
| InChI Key: | WNKDVFXXMCFURB-UHFFFAOYSA-N |