3-(Phenylmethanesulfonamido)benzoic acid
TL;DR: 3-(Phenylmethanesulfonamido)benzoic acid (CAS 860699-55-4) 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.
3-(benzylsulfonylamino)benzoic acid
Also Known As: 3-(phenylmethanesulfonamido)benzoic acid, 3-phenylmethanesulfonamidobenzoic acid, 3-(benzylsulfonylamino)benzoic Acid, 3-(phenylmethane)sulfonamidobenzoic acid, 3-[(Phenylmethanesulfonyl)amino]benzoic acid
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.3267 |
| 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 | 710.96356 |
Chemical Identifiers
| CAS Number | 860699-55-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-(Phenylmethanesulfonamido)benzoic acid (CAS 860699-55-4), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: 3-(benzylsulfonylamino)benzoic acid.
Chemical Property Profile of 3-(Phenylmethanesulfonamido)benzoic acid
Property Insights of 3-(Phenylmethanesulfonamido)benzoic acid
The XLogP value of 2.3267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylmethanesulfonamido)benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylmethanesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 3-(Phenylmethanesulfonamido)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 3-(Phenylmethanesulfonamido)benzoic acid?
The CAS number of 3-(Phenylmethanesulfonamido)benzoic acid is 860699-55-4.
What is the molecular formula of 3-(Phenylmethanesulfonamido)benzoic acid?
The molecular formula of 3-(Phenylmethanesulfonamido)benzoic acid is C14H13NO4S.
What is the molecular weight of 3-(Phenylmethanesulfonamido)benzoic acid?
The molecular weight of 3-(Phenylmethanesulfonamido)benzoic acid is 291.06 g/mol.
Where can I buy 3-(Phenylmethanesulfonamido)benzoic acid?
You can request a quote for 3-(Phenylmethanesulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylmethanesulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylmethanesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.