N-(4-Methylphenylsulfonyl)-3-nitrobenzamide
TL;DR: N-(4-Methylphenylsulfonyl)-3-nitrobenzamide (CAS 52448-70-1) is a chemical compound with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
Also Known As: N-Tosyl-3-nitrobenzamide, N-(4-methylbenzenesulfonyl)-3-nitrobenzamide, N-(4-methylphenyl)sulfonyl-3-nitrobenzamide, N-(4-Methylphenylsulfonyl)-3-nitrobenzamide, J3.676.032J
| Molecular Formula | C14H12N2O5S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 2.02192 |
| Topological Polar Surface Area | 106.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.0467 |
| Heavy Atoms | 22 |
| Complexity | 828.56665 |
Chemical Identifiers
| CAS Number | 52448-70-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-(4-Methylphenylsulfonyl)-3-nitrobenzamide (CAS 52448-70-1), with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol. IUPAC: N-(4-methylphenyl)sulfonyl-3-nitrobenzamide.
Chemical Property Profile of N-(4-Methylphenylsulfonyl)-3-nitrobenzamide
Property Insights of N-(4-Methylphenylsulfonyl)-3-nitrobenzamide
The XLogP value of 2.02192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Methylphenylsulfonyl)-3-nitrobenzamide. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Methylphenylsulfonyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-Methylphenylsulfonyl)-3-nitrobenzamide 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 N-(4-Methylphenylsulfonyl)-3-nitrobenzamide?
The CAS number of N-(4-Methylphenylsulfonyl)-3-nitrobenzamide is 52448-70-1.
What is the molecular formula of N-(4-Methylphenylsulfonyl)-3-nitrobenzamide?
The molecular formula of N-(4-Methylphenylsulfonyl)-3-nitrobenzamide is C14H12N2O5S.
What is the molecular weight of N-(4-Methylphenylsulfonyl)-3-nitrobenzamide?
The molecular weight of N-(4-Methylphenylsulfonyl)-3-nitrobenzamide is 320.05 g/mol.
Where can I buy N-(4-Methylphenylsulfonyl)-3-nitrobenzamide?
You can request a quote for N-(4-Methylphenylsulfonyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Methylphenylsulfonyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methylphenylsulfonyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.