4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
Chemical Structure Depiction of
4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | 5826-0311 |
| Compound Name: | 4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C17 H13 N O6 S |
| Smiles: | CCN1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6091 |
| logD: | -0.4487 |
| logSw: | -2.9199 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.397 |
| InChI Key: | OJRISWXCYRREQV-UHFFFAOYSA-N |