![3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide structure](/static/products/3391/339101-86-9.webp)
3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide
TL;DR: 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide (CAS 339101-86-9) is a chemical compound with molecular formula C14H11ClN2O5S and molecular weight 354.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzamide
Also Known As: Bionet1_002723, 3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzamide, 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide, 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzamide, 8L-949
| Molecular Formula | C14H11ClN2O5S |
|---|---|
| Molecular Weight | 354.01 g/mol |
| LogP | 2.321 |
| Topological Polar Surface Area | 120.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.00772 |
| Heavy Atoms | 23 |
| Complexity | 878.5407 |
Chemical Identifiers
| CAS Number | 339101-86-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C(=O)N)[N+](=O)[O-])Cl |
Product Overview
3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide (CAS 339101-86-9), with molecular formula C14H11ClN2O5S and molecular weight 354.01 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzamide.
Chemical Property Profile of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide
Property Insights of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide
The XLogP value of 2.321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide. The TPSA of 120.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide. Following Lipinski's Rule of Five, 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide 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-nitrobenzenecarboxamide?
The CAS number of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide is 339101-86-9.
What is the molecular formula of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide?
The molecular formula of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide is C14H11ClN2O5S.
What is the molecular weight of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide?
The molecular weight of 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide is 354.01 g/mol.
Where can I buy 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide?
You can request a quote for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide 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-nitrobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.