![3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid structure](/static/products/3392/339276-54-9.webp)
3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid
TL;DR: 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid (CAS 339276-54-9) is a chemical compound with molecular formula C14H10ClNO6S and molecular weight 354.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoic acid
Also Known As: 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid, 3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoic acid, 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoic acid, 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoic Acid, 3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoicacid
| Molecular Formula | C14H10ClNO6S |
|---|---|
| Molecular Weight | 354.99 g/mol |
| LogP | 2.9203 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.99173 |
| Heavy Atoms | 23 |
| Complexity | 876.64056 |
Chemical Identifiers
| CAS Number | 339276-54-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-])Cl |
Product Overview
3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid (CAS 339276-54-9), with molecular formula C14H10ClNO6S and molecular weight 354.99 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoic acid.
Chemical Property Profile of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid
Property Insights of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid
The XLogP value of 2.9203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid. Following Lipinski's Rule of Five, 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid has 1 hydrogen bond donor(s) and 5 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 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid?
The CAS number of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid is 339276-54-9.
What is the molecular formula of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid?
The molecular formula of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid is C14H10ClNO6S.
What is the molecular weight of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid?
The molecular weight of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid is 354.99 g/mol.
Where can I buy 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid?
You can request a quote for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.