3-(Phenylsulfamoyl)benzoic acid
TL;DR: 3-(Phenylsulfamoyl)benzoic acid (CAS 1576-45-0) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenylsulfamoyl)benzoic acid
Also Known As: 3-(phenylsulfamoyl)benzoic acid, 3-Asba, 3-Phenylsulfamoyl-benzoic acid, Benzoic acid, m-(phenylsulfamoyl)-, 3-(N-phenylsulfamoyl)benzoic acid
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 1576-45-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O |
| InChIKey | YNRKZIPFWSDERE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenylsulfamoyl)benzoic acid (CAS 1576-45-0), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 3-(phenylsulfamoyl)benzoic acid.
Chemical Property Profile of 3-(Phenylsulfamoyl)benzoic acid
Property Insights of 3-(Phenylsulfamoyl)benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylsulfamoyl)benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylsulfamoyl)benzoic acid. Following Lipinski's Rule of Five, 3-(Phenylsulfamoyl)benzoic acid has 2 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 3-(Phenylsulfamoyl)benzoic acid?
The CAS number of 3-(Phenylsulfamoyl)benzoic acid is 1576-45-0.
What is the molecular formula of 3-(Phenylsulfamoyl)benzoic acid?
The molecular formula of 3-(Phenylsulfamoyl)benzoic acid is C13H11NO4S.
What is the molecular weight of 3-(Phenylsulfamoyl)benzoic acid?
The molecular weight of 3-(Phenylsulfamoyl)benzoic acid is 277.04 g/mol.
Where can I buy 3-(Phenylsulfamoyl)benzoic acid?
You can request a quote for 3-(Phenylsulfamoyl)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-(Phenylsulfamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylsulfamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.