3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid
TL;DR: 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid (CAS 926245-18-3) is a chemical compound with molecular formula C11H14FNO4S and molecular weight 275.06274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(tert-butylsulfamoyl)-4-fluorobenzoic acid
Also Known As: 3-(tert-butylsulfamoyl)-4-fluorobenzoic acid, 3-[(tert-butylamino)sulfonyl]-4-fluorobenzoic acid, 3-(tert-butylsulfamoyl)-4-fluorobenzoicacid, 4-fluoro-3-(tert-butylsulfamoyl)benzoic Acid, Benzoic acid, 3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-fluoro
Technical Specifications
| Molecular Formula | C11H14FNO4S |
| Molecular Weight | 275.06274 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.06274 Da |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
| SMILES | CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F |
| InChIKey | IVIQFJGPVKZBKX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid
Property Insights of 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid. Following Lipinski's Rule of Five, 3-(Tert-butylsulfamoyl)-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-(Tert-butylsulfamoyl)-4-fluorobenzoic acid?
The CAS number of 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid is 926245-18-3.
What is the molecular formula of 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid?
The molecular formula of 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid is C11H14FNO4S.
What is the molecular weight of 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid?
The molecular weight of 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid is 275.06274 g/mol.
Where can I buy 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid?
You can request a quote for 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Tert-butylsulfamoyl)-4-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.