![2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid structure](/static/products/7917/791793-62-9.webp)
2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid
TL;DR: 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid (CAS 791793-62-9) is a chemical compound with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid
Also Known As: 2-({4-[(methylanilino)sulfonyl]anilino}carbonyl)benzoic acid, AN-329/42613113, 2-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid, 2-((4-(N-Methyl-N-phenylsulfamoyl)phenyl)carbamoyl)benzoic acid, 2-{[(4-{[methyl(phenyl)amino]sulfonyl}phenyl)amino]carbonyl}benzoic acid
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.4622 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1143.2037 |
Chemical Identifiers
| CAS Number | 791793-62-9 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid (CAS 791793-62-9), with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol. IUPAC: 2-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid
Property Insights of 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid
The XLogP value of 3.4622 indicates that 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid?
The CAS number of 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid is 791793-62-9.
What is the molecular formula of 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid?
The molecular formula of 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid is C21H18N2O5S.
What is the molecular weight of 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid?
The molecular weight of 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid is 410.09 g/mol.
Where can I buy 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid?
You can request a quote for 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(Methylanilino)sulfonyl]anilino}carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.