5-Dimethylsulfamoyl-2-fluoro-benzoic acid
TL;DR: 5-Dimethylsulfamoyl-2-fluoro-benzoic acid (CAS 91103-94-5) is a chemical compound with molecular formula C9H10FNO4S and molecular weight 247.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylsulfamoyl)-2-fluorobenzoic acid
Also Known As: 5-Dimethylsulfamoyl-2-fluoro-benzoic acid, 5-(dimethylsulfamoyl)-2-fluorobenzoic acid, 5-(N,N-Dimethylsulfamoyl)-2-fluorobenzoic acid, 5-(3-bromophenyl)-1,3-oxazole, 5-[(dimethylamino)sulfonyl]-2-fluorobenzoic acid
| Molecular Formula | C9H10FNO4S |
|---|---|
| Molecular Weight | 247.03 g/mol |
| LogP | 0.7742 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.03146 |
| Heavy Atoms | 16 |
| Complexity | 524.31055 |
Chemical Identifiers
| CAS Number | 91103-94-5 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O |
Product Overview
5-Dimethylsulfamoyl-2-fluoro-benzoic acid (CAS 91103-94-5), with molecular formula C9H10FNO4S and molecular weight 247.03 g/mol. IUPAC: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid.
Chemical Property Profile of 5-Dimethylsulfamoyl-2-fluoro-benzoic acid
Property Insights of 5-Dimethylsulfamoyl-2-fluoro-benzoic acid
The XLogP value of 0.7742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Dimethylsulfamoyl-2-fluoro-benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Dimethylsulfamoyl-2-fluoro-benzoic acid. Following Lipinski's Rule of Five, 5-Dimethylsulfamoyl-2-fluoro-benzoic acid has 1 hydrogen bond donor(s) and 3 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 5-Dimethylsulfamoyl-2-fluoro-benzoic acid?
The CAS number of 5-Dimethylsulfamoyl-2-fluoro-benzoic acid is 91103-94-5.
What is the molecular formula of 5-Dimethylsulfamoyl-2-fluoro-benzoic acid?
The molecular formula of 5-Dimethylsulfamoyl-2-fluoro-benzoic acid is C9H10FNO4S.
What is the molecular weight of 5-Dimethylsulfamoyl-2-fluoro-benzoic acid?
The molecular weight of 5-Dimethylsulfamoyl-2-fluoro-benzoic acid is 247.03 g/mol.
Where can I buy 5-Dimethylsulfamoyl-2-fluoro-benzoic acid?
You can request a quote for 5-Dimethylsulfamoyl-2-fluoro-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Dimethylsulfamoyl-2-fluoro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Dimethylsulfamoyl-2-fluoro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.