4-[acetyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid
Chemical Structure Depiction of
4-[acetyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid
4-[acetyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid
Compound characteristics
| Compound ID: | 7202-3156 |
| Compound Name: | 4-[acetyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C16 H11 N O7 S2 |
| Smiles: | CC(N(c1ccc2c(c1)SC(=O)O2)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2151 |
| logD: | -0.8427 |
| logSw: | -2.8268 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.766 |
| InChI Key: | HQZZPGXHCYPYNC-UHFFFAOYSA-N |