4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzene-1-sulfonamide
4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3536-0349 |
| Compound Name: | 4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C19 H19 N5 O5 S |
| Smiles: | CC1\C(=C/NCCc2ccc(cc2)S(N)(=O)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8106 |
| logD: | 0.8091 |
| logSw: | -2.2429 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.545 |
| InChI Key: | IGDPDNLKTSMNES-UHFFFAOYSA-N |