TL;DR: Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)- (CAS 124420-49-1) is a chemical compound with molecular formula C14H14Cl2N2O2S and molecular weight 344.0153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(benzenesulfonyl)-3-chloro-4-(1-chloro-2-methylpropan-2-yl)pyridazine
Also Known As: Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)-, 6-(benzenesulfonyl)-3-chloro-4-(1-chloro-2-methylpropan-2-yl)pyridazine, 6-(benzenesulfonyl)-3-chloro-4-(1-chloro-2-methyl-propan-2-yl)pyridazine
| Molecular Formula | C14H14Cl2N2O2S |
| Molecular Weight | 344.0153 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0153 Da |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
| SMILES | CC(C)(CCl)C1=CC(=NN=C1Cl)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | FXYOATWAHDEQHK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)-. Following Lipinski's Rule of Five, Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)- is 124420-49-1.
The molecular formula of Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)- is C14H14Cl2N2O2S.
The molecular weight of Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-6-(phenylsulfonyl)- is 344.0153 g/mol.
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