![3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile structure](/static/products/3391/339101-92-7.webp)
3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile
TL;DR: 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile (CAS 339101-92-7) is a chemical compound with molecular formula C14H9ClN2O4S and molecular weight 336.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzonitrile
Also Known As: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzonitrile, 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile, 8L-952, 3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzonitrile
| Molecular Formula | C14H9ClN2O4S |
|---|---|
| Molecular Weight | 336.00 g/mol |
| LogP | 3.09378 |
| Topological Polar Surface Area | 101.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.99716 |
| Heavy Atoms | 22 |
| Complexity | 870.7061 |
Chemical Identifiers
| CAS Number | 339101-92-7 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C#N)[N+](=O)[O-])Cl |
Product Overview
3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile (CAS 339101-92-7), with molecular formula C14H9ClN2O4S and molecular weight 336.00 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzonitrile.
Chemical Property Profile of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile
Property Insights of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile
The XLogP value of 3.09378 indicates that 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile. Following Lipinski's Rule of Five, 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile has 0 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-nitrobenzenecarbonitrile?
The CAS number of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile is 339101-92-7.
What is the molecular formula of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile?
The molecular formula of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile is C14H9ClN2O4S.
What is the molecular weight of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile?
The molecular weight of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile is 336.00 g/mol.
Where can I buy 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile?
You can request a quote for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile 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-nitrobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.