4-methyl-3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
4-methyl-3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-3823 |
| Compound Name: | 4-methyl-3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C14 H10 N2 O6 S2 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1ccc2c(c1)SC(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4266 |
| logD: | 2.9768 |
| logSw: | -4.0936 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.041 |
| InChI Key: | BLZMVYHGYMREBH-UHFFFAOYSA-N |