4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride
TL;DR: 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride (CAS 79005-54-2) is a chemical compound with molecular formula C6H3Cl2FO4S2 and molecular weight 291.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-chlorosulfonylbenzenesulfonyl fluoride
Also Known As: 4-chloro-3-chlorosulfonylbenzenesulfonyl fluoride, 2-CHLORO-5-FLUOROSULFONYLBENZENESULFONYL CHLORIDE, 4-chloro-3-chlorosulfonyl-benzenesulfonyl fluoride, 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride, 4-chloro-3-chlorosulfonyl-benzenesulfonylfluoride
| Molecular Formula | C6H3Cl2FO4S2 |
|---|---|
| Molecular Weight | 291.88 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.8834 |
| Heavy Atoms | 15 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 79005-54-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)F)S(=O)(=O)Cl)Cl |
| InChIKey | KPAMMSNSYXURNH-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride (CAS 79005-54-2), with molecular formula C6H3Cl2FO4S2 and molecular weight 291.88 g/mol. IUPAC: 4-chloro-3-chlorosulfonylbenzenesulfonyl fluoride.
Chemical Property Profile of 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride
Property Insights of 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride has 0 hydrogen bond donor(s) and 5 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 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride?
The CAS number of 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride is 79005-54-2.
What is the molecular formula of 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride?
The molecular formula of 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride is C6H3Cl2FO4S2.
What is the molecular weight of 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride?
The molecular weight of 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride is 291.88 g/mol.
Where can I buy 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride?
You can request a quote for 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.