Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-
TL;DR: Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- (CAS 62646-28-0) is a chemical compound with molecular formula C13H12N2O6S2 and molecular weight 356.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid
Also Known As: 4-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid, 4-(((4-(Aminosulfonyl)phenyl)sulfonyl)amino)benzoic acid, BENZOIC ACID, 4-(((4-(AMINOSULFONYL)PHENYL)SULFONYL)AMINO)-, 4-(4-Sulfamoylbenzene-1-sulfonamido)benzoic acid, RefChem:327284
| Molecular Formula | C13H12N2O6S2 |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.01367 |
| Heavy Atoms | 23 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 62646-28-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N |
| InChIKey | YNKYUVNLFJJWHG-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- (CAS 62646-28-0), with molecular formula C13H12N2O6S2 and molecular weight 356.01 g/mol. IUPAC: 4-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-
Property Insights of Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-. The TPSA of 160.0 Ų indicates high polarity, suggesting Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- has 3 hydrogen bond donor(s) and 8 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 Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-?
The CAS number of Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- is 62646-28-0.
What is the molecular formula of Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-?
The molecular formula of Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- is C13H12N2O6S2.
What is the molecular weight of Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-?
The molecular weight of Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- is 356.01 g/mol.
Where can I buy Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-?
You can request a quote for Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.