4-(benzenesulfonamidomethyl)benzoic Acid
TL;DR: 4-(benzenesulfonamidomethyl)benzoic Acid (CAS 178693-27-1) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonamidomethyl)benzoic acid
Also Known As: 4-(benzenesulfonamidomethyl)benzoic Acid, 4-{[(phenylsulfonyl)amino]methyl}benzoic acid, 4-(Phenylsulfonamidomethyl)benzoic Acid, Benzoic acid, 4-[[(phenylsulfonyl)amino]methyl]-, 4-([(Phenylsulfonyl)amino]methyl)benzoic acid
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 1.8633 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 693.71356 |
Chemical Identifiers
| CAS Number | 178693-27-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-(benzenesulfonamidomethyl)benzoic Acid (CAS 178693-27-1), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: 4-(benzenesulfonamidomethyl)benzoic acid.
Chemical Property Profile of 4-(benzenesulfonamidomethyl)benzoic Acid
Property Insights of 4-(benzenesulfonamidomethyl)benzoic Acid
The XLogP value of 1.8633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(benzenesulfonamidomethyl)benzoic Acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(benzenesulfonamidomethyl)benzoic Acid. Following Lipinski's Rule of Five, 4-(benzenesulfonamidomethyl)benzoic Acid has 2 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 4-(benzenesulfonamidomethyl)benzoic Acid?
The CAS number of 4-(benzenesulfonamidomethyl)benzoic Acid is 178693-27-1.
What is the molecular formula of 4-(benzenesulfonamidomethyl)benzoic Acid?
The molecular formula of 4-(benzenesulfonamidomethyl)benzoic Acid is C14H13NO4S.
What is the molecular weight of 4-(benzenesulfonamidomethyl)benzoic Acid?
The molecular weight of 4-(benzenesulfonamidomethyl)benzoic Acid is 291.06 g/mol.
Where can I buy 4-(benzenesulfonamidomethyl)benzoic Acid?
You can request a quote for 4-(benzenesulfonamidomethyl)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-(benzenesulfonamidomethyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzenesulfonamidomethyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.