![2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide structure](/static/products/2946/294657-64-0.webp)
2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
TL;DR: 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294657-64-0) is a chemical compound with molecular formula C16H14Cl3N5O5S2 and molecular weight 524.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide, 2-nitro-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide, N-{1-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-2,2,2-trichloroethyl}-2-nitrobenzamide
| Molecular Formula | C16H14Cl3N5O5S2 |
|---|---|
| Molecular Weight | 524.95 g/mol |
| LogP | 2.6549 |
| Topological Polar Surface Area | 156.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.9502 |
| Heavy Atoms | 31 |
| Complexity | 1107.3724 |
Chemical Identifiers
| CAS Number | 294657-64-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] |
Product Overview
2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294657-64-0), with molecular formula C16H14Cl3N5O5S2 and molecular weight 524.95 g/mol. IUPAC: 2-nitro-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
Property Insights of 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
The XLogP value of 2.6549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide. The TPSA of 156.46 Ų indicates high polarity, suggesting 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide has 4 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 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
The CAS number of 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide is 294657-64-0.
What is the molecular formula of 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular formula of 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide is C16H14Cl3N5O5S2.
What is the molecular weight of 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular weight of 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide is 524.95 g/mol.
Where can I buy 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
You can request a quote for 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.