3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-1932 |
| Compound Name: | 3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide |
| Molecular Weight: | 352.34 |
| Molecular Formula: | C13 H8 N2 O6 S2 |
| Smiles: | c1cc(cc(c1)S(Nc1ccc2c(c1)SC(=O)O2)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7166 |
| logD: | 2.2668 |
| logSw: | -3.427 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.342 |
| InChI Key: | APMLNRWZQCEEDI-UHFFFAOYSA-N |