![2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid structure](/static/products/959/959576-19-3.webp)
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 372.98453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C14H12ClNO5S2 |
| Molecular Weight | 372.98453 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.98453 Da |
| Heavy Atoms | 23 |
| Complexity | 562.0 |
| SMILES | CNS(=O)(=O)C1=C(C=CC(=C1)Cl)S(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | LRXVYUVHTLVCAE-UHFFFAOYSA-N |
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 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid. The TPSA of 128.0 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 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 372.98453 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid?
Yes, CoreyChem 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.