4-(2-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(2-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1-sulfonamide
4-(2-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3977-1345 |
| Compound Name: | 4-(2-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | CC1/C(=C/c2cccn2c2ccc(cc2)S(N)(=O)=O)C(N(c2ccc(C)c(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0166 |
| logD: | 4.0157 |
| logSw: | -4.4734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.719 |
| InChI Key: | XBRCNIRJKKWSKB-UHFFFAOYSA-N |