![N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide structure](/static/products/7186/718603-62-4.webp)
N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide
TL;DR: N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide (CAS 718603-62-4) is a chemical compound with molecular formula C17H18N4O5S2 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
Also Known As: N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide, 3-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide, N-[[[4-[[(1-Methylethyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-3-nitrobenzamide, 3-nitro-N-{[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl}benzamide, 3-Nitro-N-({4-[(propan-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
| Molecular Formula | C17H18N4O5S2 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 2.4083 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.07187 |
| Heavy Atoms | 28 |
| Complexity | 1004.46277 |
Chemical Identifiers
| CAS Number | 718603-62-4 |
|---|---|
| SMILES | CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide (CAS 718603-62-4), with molecular formula C17H18N4O5S2 and molecular weight 422.07 g/mol. IUPAC: 3-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide
Property Insights of N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide
The XLogP value of 2.4083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide has 3 hydrogen bond donor(s) and 6 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-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide?
The CAS number of N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide is 718603-62-4.
What is the molecular formula of N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide?
The molecular formula of N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide is C17H18N4O5S2.
What is the molecular weight of N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide?
The molecular weight of N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide is 422.07 g/mol.
Where can I buy N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide?
You can request a quote for N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-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-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[({4-[(isopropylamino)sulfonyl]phenyl}amino)carbonothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.