![4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide structure](/static/products/3922/392247-79-9.webp)
4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
TL;DR: 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 392247-79-9) is a chemical compound with molecular formula C20H20N6O6S2 and molecular weight 504.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylsulfonyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide, 4-morpholin-4-ylsulfonyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide, 4-(MORPHOLINE-4-SULFONYL)-N-{[4-(4-NITROPHENYL)-5-SULFANYLIDENE-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL]METHYL}BENZAMIDE, 4-(morpholinosulfonyl)-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide
| Molecular Formula | C20H20N6O6S2 |
|---|---|
| Molecular Weight | 504.09 g/mol |
| LogP | 1.78899 |
| Topological Polar Surface Area | 152.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.08856 |
| Heavy Atoms | 34 |
| Complexity | 1359.7855 |
Chemical Identifiers
| CAS Number | 392247-79-9 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 392247-79-9), with molecular formula C20H20N6O6S2 and molecular weight 504.09 g/mol. IUPAC: 4-morpholin-4-ylsulfonyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Property Insights of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
The XLogP value of 1.78899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide. The TPSA of 152.46 Ų indicates high polarity, suggesting 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The CAS number of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is 392247-79-9.
What is the molecular formula of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular formula of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is C20H20N6O6S2.
What is the molecular weight of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular weight of 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is 504.09 g/mol.
Where can I buy 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
You can request a quote for 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(morpholin-4-ylsulfonyl)-N-{[4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.