![N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide structure](/static/products/458/458553-53-2.png)
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
TL;DR: N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide (CAS 458553-53-2) is a chemical compound with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
Also Known As: AN-329/40922973, N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide, N-{4-[(3,5-dimethylanilino)sulfonyl]phenyl}-4-nitrobenzamide, N-(4-{[(3,5-dimethylphenyl)amino]sulfonyl}phenyl)-4-nitrobenzamide, N-{4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}-4-nitrobenzamide
| Molecular Formula | C21H19N3O5S |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 4.26474 |
| Topological Polar Surface Area | 118.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.10455 |
| Heavy Atoms | 30 |
| Complexity | 1184.1442 |
Chemical Identifiers
| CAS Number | 458553-53-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide (CAS 458553-53-2), with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol. IUPAC: N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide.
Chemical Property Profile of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
Property Insights of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
The XLogP value of 4.26474 indicates that N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide has 2 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-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
The CAS number of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide is 458553-53-2.
What is the molecular formula of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
The molecular formula of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide is C21H19N3O5S.
What is the molecular weight of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
The molecular weight of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide is 425.10 g/mol.
Where can I buy N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
You can request a quote for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-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-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.