TL;DR: 1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene (CAS 16215-12-6) is a chemical compound with molecular formula C14H11ClO2S and molecular weight 278.0168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-[(E)-2-phenylethenyl]sulfonylbenzene
Also Known As: Styryl(4-chlorophenyl) sulfone, Styryl(p-chlorophenyl) sulfone, p-chlorophenyl trans-styryl sulphone, 4-Chlorophenyl[(E)-styryl] sulfone, (4-Chlorophenyl)trans-styryl sulfone
| Molecular Formula | C14H11ClO2S |
| Molecular Weight | 278.0168 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0168 Da |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | XFKKDQDMHNCJRT-ZHACJKMWSA-N |
The XLogP value of 3.8 indicates that 1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene is 16215-12-6.
The molecular formula of 1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene is C14H11ClO2S.
The molecular weight of 1-Chloro-4-(((1E)-2-phenylethenyl)sulfonyl)benzene is 278.0168 g/mol.
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