![4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid structure](/static/products/3594/359409-85-1.webp)
4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid
TL;DR: 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 359409-85-1) is a chemical compound with molecular formula C15H14ClNO4S and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chloro-N-methylsulfonylanilino)methyl]benzoic acid
Also Known As: 4-{[(3-chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid, BAS 01933006, 4-([(3-Chlorophenyl)(methylsulfonyl)amino]methyl)benzoic acid, 4-[(3-chloro-N-methylsulfonylanilino)methyl]benzoic acid, chlorophenyl)methanesulfonamido]methyl}benzoic acid
| Molecular Formula | C15H14ClNO4S |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.0332 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 359409-85-1 |
|---|---|
| SMILES | CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=CC(=CC=C2)Cl |
| InChIKey | SPWOGQXKCSXMRO-UHFFFAOYSA-N |
Product Overview
4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 359409-85-1), with molecular formula C15H14ClNO4S and molecular weight 339.03 g/mol. IUPAC: 4-[(3-chloro-N-methylsulfonylanilino)methyl]benzoic acid.
Chemical Property Profile of 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid
Property Insights of 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid has 1 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-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid is 359409-85-1.
What is the molecular formula of 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid is C15H14ClNO4S.
What is the molecular weight of 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid is 339.03 g/mol.
Where can I buy 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Chlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.