N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N-(4-methoxyphenyl)-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N-(4-methoxyphenyl)-3-nitrobenzene-1-sulfonamide
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N-(4-methoxyphenyl)-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V028-6706 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N-(4-methoxyphenyl)-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C22 H20 N2 O7 S |
| Salt: | not_available |
| Smiles: | CC(c1ccc2c(c1)OCO2)N(c1ccc(cc1)OC)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.871 |
| logD: | 4.871 |
| logSw: | -4.7075 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.343 |
| InChI Key: | XFLHCSAHUWWFIT-HNNXBMFYSA-N |