![2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid structure](/static/products/959/959576-19-3.png)
2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid
TL;DR: 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid (CAS 959576-19-3) is a chemical compound with molecular formula C14H12ClNO5S2 and molecular weight 372.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-2-(methylsulfamoyl)phenyl]sulfinylbenzoic acid
Also Known As: 2-[4-chloro-2-(methylsulfamoyl)phenyl]sulfinylbenzoic Acid, 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid, 2-[4-Chloro-2-(methylsulfamoyl)benzene-1-sulfinyl]benzoic acid, 2-{[4-chloro-2-(methylsulfamoyl)benzene]sulfinyl}benzoic acid
| Molecular Formula | C14H12ClNO5S2 |
|---|---|
| Molecular Weight | 372.98 g/mol |
| LogP | 2.113 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.98453 |
| Heavy Atoms | 23 |
| Complexity | 895.7907 |
Chemical Identifiers
| CAS Number | 959576-19-3 |
|---|---|
| SMILES | CNS(=O)(=O)C1=C(C=CC(=C1)Cl)S(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid (CAS 959576-19-3), with molecular formula C14H12ClNO5S2 and molecular weight 372.98 g/mol. IUPAC: 2-[4-chloro-2-(methylsulfamoyl)phenyl]sulfinylbenzoic acid.
Chemical Property Profile of 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid
Property Insights of 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid
The XLogP value of 2.113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid. Following Lipinski's Rule of Five, 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid has 2 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 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid?
The CAS number of 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid is 959576-19-3.
What is the molecular formula of 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid?
The molecular formula of 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid is C14H12ClNO5S2.
What is the molecular weight of 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid?
The molecular weight of 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid is 372.98 g/mol.
Where can I buy 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid?
You can request a quote for 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.