4-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
4-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3697-0154 |
| Compound Name: | 4-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C22 H18 Cl N3 O4 S |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)S(N)(=O)=O)o2)C(N(c2ccc(C)c(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3968 |
| logD: | 4.396 |
| logSw: | -4.6232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.76 |
| InChI Key: | NZXWKVXEJHGELP-UHFFFAOYSA-N |