![5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid structure](/static/products/6120/612042-42-9.webp)
5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid
TL;DR: 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid (CAS 612042-42-9) is a chemical compound with molecular formula C15H10F3NO6S and molecular weight 389.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid
Also Known As: 5-[2-(trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid, 5-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)isophthalic acid, 5-(2-(trifluoromethyl)phenylsulfonamido)isophthalic acid, 5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic Acid, 5-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)benzene-1,3-dicarboxylic acid
| Molecular Formula | C15H10F3NO6S |
|---|---|
| Molecular Weight | 389.02 g/mol |
| LogP | 2.9026 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0181 |
| Heavy Atoms | 26 |
| Complexity | 952.8665 |
Chemical Identifiers
| CAS Number | 612042-42-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid (CAS 612042-42-9), with molecular formula C15H10F3NO6S and molecular weight 389.02 g/mol. IUPAC: 5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid
Property Insights of 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid
The XLogP value of 2.9026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid has 3 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 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid?
The CAS number of 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid is 612042-42-9.
What is the molecular formula of 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid?
The molecular formula of 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid is C15H10F3NO6S.
What is the molecular weight of 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid?
The molecular weight of 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid is 389.02 g/mol.
Where can I buy 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid?
You can request a quote for 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.