N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-nitrobenzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y032-1480 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 336.32 |
| Molecular Formula: | C14 H12 N2 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3015 |
| logD: | 2.3011 |
| logSw: | -2.7976 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.193 |
| InChI Key: | VDHVGFVAVSRBES-UHFFFAOYSA-N |