![5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid structure](/static/products/1008/1008040-45-6.webp)
5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
TL;DR: 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid (CAS 1008040-45-6) is a chemical compound with molecular formula C13H16ClNO6S and molecular weight 349.0387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
Also Known As: 5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid, 5-{[(1-carboxy-2-methylbutyl)amino]sulfonyl}-2-chlorobenzoic acid, 5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoicacid, 5-[(1-carboxy-2-methyl-butyl)sulfamoyl]-2-chloro-benzoic Acid, 2-chloro-5-[(1-hydroxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]benzoic acid
Technical Specifications
| Molecular Formula | C13H16ClNO6S |
| Molecular Weight | 349.0387 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.0387 Da |
| Heavy Atoms | 22 |
| Complexity | 517.0 |
| SMILES | CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O |
| InChIKey | CNKFCEUBFWDWJK-UHFFFAOYSA-N |
Chemical Property Profile of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
Property Insights of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid?
The CAS number of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid is 1008040-45-6.
What is the molecular formula of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid?
The molecular formula of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid is C13H16ClNO6S.
What is the molecular weight of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid?
The molecular weight of 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid is 349.0387 g/mol.
Where can I buy 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid?
You can request a quote for 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-[(1-Carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.