TL;DR: 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone (CAS 339107-27-6) is a chemical compound with molecular formula C14H10Cl2O3S and molecular weight 327.97278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzenesulfonyl)-1-(2,4-dichlorophenyl)ethanone
Also Known As: 1-(2,4-dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone, 2-(benzenesulfonyl)-1-(2,4-dichlorophenyl)ethan-1-one, 2-(benzenesulfonyl)-1-(2,4-dichlorophenyl)ethanone, 9H-315S, 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)ethanone
| Molecular Formula | C14H10Cl2O3S |
| Molecular Weight | 327.97278 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.97278 Da |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=C(C=C(C=C2)Cl)Cl |
| InChIKey | SBUYRKXLMNCGLI-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone is 339107-27-6.
The molecular formula of 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone is C14H10Cl2O3S.
The molecular weight of 1-(2,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone is 327.97278 g/mol.
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