![3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid structure](/static/products/847/847929-55-9.webp)
3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid
TL;DR: 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid (CAS 847929-55-9) is a chemical compound with molecular formula C13H10FNO4S and molecular weight 295.03146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-fluorophenyl)sulfonylamino]benzoic acid
Also Known As: 3-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid, 3-[(4-fluorophenyl)sulfonylamino]benzoic Acid, 3-(4-fluorobenzenesulfonamido)benzoic acid, 3-((4-fluorophenyl)sulfonamido)benzoic acid, 3-(4-fluorophenylsulfonamido)benzoic acid
Technical Specifications
| Molecular Formula | C13H10FNO4S |
| Molecular Weight | 295.03146 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.03146 Da |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
| SMILES | C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | DQRNDEPUAOBYQO-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid
Property Insights of 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic 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-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid?
The CAS number of 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid is 847929-55-9.
What is the molecular formula of 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid?
The molecular formula of 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid is C13H10FNO4S.
What is the molecular weight of 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid?
The molecular weight of 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid is 295.03146 g/mol.
Where can I buy 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid?
You can request a quote for 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[(4-Fluorophenyl)sulfonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.