![4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide structure](/static/products/6978/6978-21-8.webp)
4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide
TL;DR: 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide (CAS 6978-21-8) is a chemical compound with molecular formula C22H19ClN4O5S2 and molecular weight 518.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide
Also Known As: 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide, 4-chloro-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide, 4-chloro-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide
| Molecular Formula | C22H19ClN4O5S2 |
|---|---|
| Molecular Weight | 518.05 g/mol |
| LogP | 4.79264 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.0485 |
| Heavy Atoms | 34 |
| Complexity | 1372.6539 |
Chemical Identifiers
| CAS Number | 6978-21-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C |
Product Overview
4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide (CAS 6978-21-8), with molecular formula C22H19ClN4O5S2 and molecular weight 518.05 g/mol. IUPAC: 4-chloro-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide
Property Insights of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide
The XLogP value of 4.79264 indicates that 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide?
The CAS number of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide is 6978-21-8.
What is the molecular formula of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide?
The molecular formula of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide is C22H19ClN4O5S2.
What is the molecular weight of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide?
The molecular weight of 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide is 518.05 g/mol.
Where can I buy 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide?
You can request a quote for 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.