3-Chlorobenzenesulphonyl chloride
TL;DR: 3-Chlorobenzenesulphonyl chloride (CAS 2888-06-4) is a chemical compound with molecular formula C6H4Cl2O2S and molecular weight 209.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobenzenesulfonyl chloride
Also Known As: 3-Chlorobenzenesulfonyl chloride, Benzenesulfonyl chloride, 3-chloro-, 3-Chlorobenzene-1-Sulfonyl Chloride, 3-Chlorobenzenesulphonyl chloride, 3-chlorobenzenesulfonylchloride
| Molecular Formula | C6H4Cl2O2S |
|---|---|
| Molecular Weight | 209.93 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.93091 |
| Heavy Atoms | 11 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 2888-06-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)S(=O)(=O)Cl |
| InChIKey | OINWZUJVEXUHCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorobenzenesulphonyl chloride (CAS 2888-06-4), with molecular formula C6H4Cl2O2S and molecular weight 209.93 g/mol. IUPAC: 3-chlorobenzenesulfonyl chloride.
Chemical Property Profile of 3-Chlorobenzenesulphonyl chloride
Property Insights of 3-Chlorobenzenesulphonyl chloride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorobenzenesulphonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Chlorobenzenesulphonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzenesulphonyl chloride has 0 hydrogen bond donor(s) and 2 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-Chlorobenzenesulphonyl chloride?
The CAS number of 3-Chlorobenzenesulphonyl chloride is 2888-06-4.
What is the molecular formula of 3-Chlorobenzenesulphonyl chloride?
The molecular formula of 3-Chlorobenzenesulphonyl chloride is C6H4Cl2O2S.
What is the molecular weight of 3-Chlorobenzenesulphonyl chloride?
The molecular weight of 3-Chlorobenzenesulphonyl chloride is 209.93 g/mol.
Where can I buy 3-Chlorobenzenesulphonyl chloride?
You can request a quote for 3-Chlorobenzenesulphonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzenesulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzenesulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.