4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}benzoic acid
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8012-0662 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}benzoic acid |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C14 H11 N3 O4 S2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)NS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.549 |
| logD: | -0.4225 |
| logSw: | -2.766 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.357 |
| InChI Key: | CTLJXPXOGJCREW-UHFFFAOYSA-N |