4-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
4-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4285-1884 |
| Compound Name: | 4-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 486.89 |
| Molecular Formula: | C21 H15 Cl N4 O6 S |
| Smiles: | CC1/C(=C/c2ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o2)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4865 |
| logD: | 3.4855 |
| logSw: | -4.0745 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.141 |
| InChI Key: | XPZZHHCKKLXTKZ-UHFFFAOYSA-N |