![3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid structure](/static/products/4399/439935-53-2.webp)
3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid (CAS 439935-53-2) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
Also Known As: 3-(4-acetamidophenylsulfonamido)-4-methylbenzoic acid, 3-[(4-acetamidophenyl)sulfonylamino]-4-methyl-benzoic Acid, 3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid, 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.45242 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 889.18384 |
Chemical Identifiers
| CAS Number | 439935-53-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C |
Product Overview
3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid (CAS 439935-53-2), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: 3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid
The XLogP value of 2.45242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid has 3 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 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid is 439935-53-2.
What is the molecular formula of 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid is C16H16N2O5S.
What is the molecular weight of 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid is 348.08 g/mol.
Where can I buy 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[4-(Acetylamino)phenyl]sulfonyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.