![4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid structure](/static/products/6136/613657-61-7.webp)
4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid
TL;DR: 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid (CAS 613657-61-7) is a chemical compound with molecular formula C14H10F3NO4S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
Also Known As: 4-((3-(trifluoromethyl)phenyl)sulfonamido)benzoic acid, 4-(([3-(Trifluoromethyl)phenyl]sulfonyl)amino)benzoic acid, 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic Acid, 4-[3-(TRIFLROMETHL)PHENLSUL 1G., 4-[3-(TRIFLROMETHL)PHENL 250MG.
| Molecular Formula | C14H10F3NO4S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.02826 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 613657-61-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C(F)(F)F |
| InChIKey | NJEQBXPASRIDHG-UHFFFAOYSA-N |
Product Overview
4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid (CAS 613657-61-7), with molecular formula C14H10F3NO4S and molecular weight 345.03 g/mol. IUPAC: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid
Property Insights of 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid has 2 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 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid?
The CAS number of 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid is 613657-61-7.
What is the molecular formula of 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid?
The molecular formula of 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid is C14H10F3NO4S.
What is the molecular weight of 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid?
The molecular weight of 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid is 345.03 g/mol.
Where can I buy 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid?
You can request a quote for 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.