4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid
TL;DR: 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid (CAS 110046-39-4) is a chemical compound with molecular formula C14H11ClO4S and molecular weight 310.00665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)sulfonylmethyl]benzoic acid
Also Known As: 4-[(4-chlorophenyl)sulfonylmethyl]benzoic acid, 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid, 4-{[(4-Chlorophenyl)sulfonyl]methyl}benzoic acid, Benzoic acid, 4-(((4-chlorophenyl)sulfonyl)methyl)-, 4-[[(4-Chlorophenyl)sulfonyl]methyl]benzoic acid
Technical Specifications
| Molecular Formula | C14H11ClO4S |
| Molecular Weight | 310.00665 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.00665 Da |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
| SMILES | C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | LNVKAVDVFIOEEV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid
Property Insights of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid?
The CAS number of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid is 110046-39-4.
What is the molecular formula of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid?
The molecular formula of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid is C14H11ClO4S.
What is the molecular weight of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid?
The molecular weight of 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid is 310.00665 g/mol.
Where can I buy 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid?
You can request a quote for 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.