3-(Aminosulfonyl)-4-fluorobenzoic acid
TL;DR: 3-(Aminosulfonyl)-4-fluorobenzoic acid (CAS 14678-78-5) is a chemical compound with molecular formula C7H6FNO4S and molecular weight 219.00015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluoro-3-sulfamoylbenzoic acid
Also Known As: 4-fluoro-3-sulfamoylbenzoic acid, 3-(aminosulfonyl)-4-fluorobenzoic acid, 4-Fluoro-3-sulfamoyl-benzoic acid, 3- -4-fluorobenzoicacid, 4-Fluor-3-sulfamoylbenzoesaeure
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6FNO4S |
| Molecular Weight | 219.00015 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.00015 Da |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)F |
| InChIKey | NGBMRUQCUCRKQN-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Aminosulfonyl)-4-fluorobenzoic acid
Property Insights of 3-(Aminosulfonyl)-4-fluorobenzoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminosulfonyl)-4-fluorobenzoic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminosulfonyl)-4-fluorobenzoic acid. Following Lipinski's Rule of Five, 3-(Aminosulfonyl)-4-fluorobenzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Aminosulfonyl)-4-fluorobenzoic acid?
The CAS number of 3-(Aminosulfonyl)-4-fluorobenzoic acid is 14678-78-5.
What is the molecular formula of 3-(Aminosulfonyl)-4-fluorobenzoic acid?
The molecular formula of 3-(Aminosulfonyl)-4-fluorobenzoic acid is C7H6FNO4S.
What is the molecular weight of 3-(Aminosulfonyl)-4-fluorobenzoic acid?
The molecular weight of 3-(Aminosulfonyl)-4-fluorobenzoic acid is 219.00015 g/mol.
Where can I buy 3-(Aminosulfonyl)-4-fluorobenzoic acid?
You can request a quote for 3-(Aminosulfonyl)-4-fluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Aminosulfonyl)-4-fluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Aminosulfonyl)-4-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.