![5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid structure](/static/products/1049/104941-53-9.webp)
5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid
TL;DR: 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid (CAS 104941-53-9) is a chemical compound with molecular formula C14H12ClNO4S and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoic acid
Also Known As: 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoic acid, 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid, 5-{[(4-chlorophenyl)amino]sulfonyl}-2-methylbenzoic acid, AB00115551-01, 5-[(4-chloroanilino)sulfonyl]-2-methylbenzoic acid
| Molecular Formula | C14H12ClNO4S |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.01755 |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 104941-53-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | ZPYMHPJLWVFYFC-UHFFFAOYSA-N |
Product Overview
5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid (CAS 104941-53-9), with molecular formula C14H12ClNO4S and molecular weight 325.02 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoic acid.
Chemical Property Profile of 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid
Property Insights of 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid
The XLogP value of 3.0 indicates that 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid. Following Lipinski's Rule of Five, 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid has 2 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 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid?
The CAS number of 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid is 104941-53-9.
What is the molecular formula of 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid?
The molecular formula of 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid is C14H12ClNO4S.
What is the molecular weight of 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid?
The molecular weight of 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid is 325.02 g/mol.
Where can I buy 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid?
You can request a quote for 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[[(4-chlorophenyl)amino]sulfonyl]-2-methylBenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.