3-Chloro-4-fluorobenzenesulphonyl chloride
TL;DR: 3-Chloro-4-fluorobenzenesulphonyl chloride (CAS 91170-93-3) is a chemical compound with molecular formula C6H3Cl2FO2S and molecular weight 227.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluorobenzenesulfonyl chloride
Also Known As: 3-Chloro-4-fluorobenzenesulfonyl chloride, 3-chloro-4-fluorobenzene-1-sulfonyl chloride, 3-Chloro-4-fluorobenzenesulphonyl chloride, 3-chloro-4-fluorobenzenesulfonylchloride, 3-chloro-4-fluorophenylsulfonyl chloride
| Molecular Formula | C6H3Cl2FO2S |
|---|---|
| Molecular Weight | 227.92 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.92148 |
| Heavy Atoms | 12 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 91170-93-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)F |
| InChIKey | DXFXNSNBZNELII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-fluorobenzenesulphonyl chloride (CAS 91170-93-3), with molecular formula C6H3Cl2FO2S and molecular weight 227.92 g/mol. IUPAC: 3-chloro-4-fluorobenzenesulfonyl chloride.
Chemical Property Profile of 3-Chloro-4-fluorobenzenesulphonyl chloride
Property Insights of 3-Chloro-4-fluorobenzenesulphonyl chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorobenzenesulphonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Chloro-4-fluorobenzenesulphonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorobenzenesulphonyl chloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-fluorobenzenesulphonyl chloride?
The CAS number of 3-Chloro-4-fluorobenzenesulphonyl chloride is 91170-93-3.
What is the molecular formula of 3-Chloro-4-fluorobenzenesulphonyl chloride?
The molecular formula of 3-Chloro-4-fluorobenzenesulphonyl chloride is C6H3Cl2FO2S.
What is the molecular weight of 3-Chloro-4-fluorobenzenesulphonyl chloride?
The molecular weight of 3-Chloro-4-fluorobenzenesulphonyl chloride is 227.92 g/mol.
Where can I buy 3-Chloro-4-fluorobenzenesulphonyl chloride?
You can request a quote for 3-Chloro-4-fluorobenzenesulphonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorobenzenesulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorobenzenesulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.