4-(Trifluoromethylsulfonamido)benzoic acid
TL;DR: 4-(Trifluoromethylsulfonamido)benzoic acid (CAS 6293-80-7) is a chemical compound with molecular formula C8H6F3NO4S and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethylsulfonylamino)benzoic acid
Also Known As: 4-(trifluoromethylsulfonamido)benzoic acid, 4-{[(trifluoromethyl)sulfonyl]amino}benzoic acid, 4-(trifluoromethylsulfonylamino)benzoic acid, 4-trifluoromethanesulfonamidobenzoic acid, 4-(TRIFLUOROMETHANESULFONAMIDO)BENZOIC ACID
| Molecular Formula | C8H6F3NO4S |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.99695 |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 6293-80-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C(F)(F)F |
| InChIKey | KSDPKHIFHRHXGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethylsulfonamido)benzoic acid (CAS 6293-80-7), with molecular formula C8H6F3NO4S and molecular weight 269.00 g/mol. IUPAC: 4-(trifluoromethylsulfonylamino)benzoic acid.
Chemical Property Profile of 4-(Trifluoromethylsulfonamido)benzoic acid
Property Insights of 4-(Trifluoromethylsulfonamido)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethylsulfonamido)benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Trifluoromethylsulfonamido)benzoic acid. Following Lipinski's Rule of Five, 4-(Trifluoromethylsulfonamido)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-(Trifluoromethylsulfonamido)benzoic acid?
The CAS number of 4-(Trifluoromethylsulfonamido)benzoic acid is 6293-80-7.
What is the molecular formula of 4-(Trifluoromethylsulfonamido)benzoic acid?
The molecular formula of 4-(Trifluoromethylsulfonamido)benzoic acid is C8H6F3NO4S.
What is the molecular weight of 4-(Trifluoromethylsulfonamido)benzoic acid?
The molecular weight of 4-(Trifluoromethylsulfonamido)benzoic acid is 269.00 g/mol.
Where can I buy 4-(Trifluoromethylsulfonamido)benzoic acid?
You can request a quote for 4-(Trifluoromethylsulfonamido)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-(Trifluoromethylsulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethylsulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.