TL;DR: 4'-Fluorobiphenyl-4-sulfonyl chloride (CAS 116748-66-4) is a chemical compound with molecular formula C12H8ClFO2S and molecular weight 269.99176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-fluorophenyl)benzenesulfonyl chloride
Also Known As: 4'-Fluorobiphenyl-4-sulfonyl chloride, 4-(4-fluorophenyl)benzenesulfonyl Chloride, OXYMETAZOLINEHCL, 4'-fluoro[1,1'-biphenyl]-4-sulfonyl chloride, 4'-fluoro-[1,1'-biphenyl]-4-sulfonyl chloride
| Molecular Formula | C12H8ClFO2S |
| Molecular Weight | 269.99176 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.99176 Da |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F |
| InChIKey | CIDMHDJTWVMBIF-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 4'-Fluorobiphenyl-4-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 4'-Fluorobiphenyl-4-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Fluorobiphenyl-4-sulfonyl chloride 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 4'-Fluorobiphenyl-4-sulfonyl chloride is 116748-66-4.
The molecular formula of 4'-Fluorobiphenyl-4-sulfonyl chloride is C12H8ClFO2S.
The molecular weight of 4'-Fluorobiphenyl-4-sulfonyl chloride is 269.99176 g/mol.
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