![3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid structure](/static/products/5651/565192-80-5.webp)
3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid
TL;DR: 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid (CAS 565192-80-5) is a chemical compound with molecular formula C16H13ClFNO4S and molecular weight 369.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid
Also Known As: 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid, 4-chloro-3-[(4-fluorophenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid, 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid, 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoic acid, 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chlorobenzoic acid
| Molecular Formula | C16H13ClFNO4S |
|---|---|
| Molecular Weight | 369.02 g/mol |
| LogP | 3.5586 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.02377 |
| Heavy Atoms | 24 |
| Complexity | 881.45044 |
Chemical Identifiers
| CAS Number | 565192-80-5 |
|---|---|
| SMILES | C=CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid (CAS 565192-80-5), with molecular formula C16H13ClFNO4S and molecular weight 369.02 g/mol. IUPAC: 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid.
Chemical Property Profile of 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid
Property Insights of 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid
The XLogP value of 3.5586 indicates that 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid. Following Lipinski's Rule of Five, 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid has 1 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-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid?
The CAS number of 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid is 565192-80-5.
What is the molecular formula of 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid?
The molecular formula of 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid is C16H13ClFNO4S.
What is the molecular weight of 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid?
The molecular weight of 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid is 369.02 g/mol.
Where can I buy 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid?
You can request a quote for 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[Allyl-(4-fluoro-phenyl)-sulfamoyl]-4-chloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.