![N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide structure](/static/products/5191/519151-98-5.webp)
N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
TL;DR: N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide (CAS 519151-98-5) is a chemical compound with molecular formula C18H19N5O4S2 and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide
Also Known As: N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide, N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide, N,N-Diethyl-3-[5-mercapto-4-(4-nitro-phenyl)-4H-[1,2,4]triazol-3-yl]-benzenesulfonamide, n,n-Diethyl-3-(5-mercapto-4-(4-nitrophenyl)-4h-1,2,4-triazol-3-yl)benzenesulfonamide, N,N-diethyl-3-[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide
| Molecular Formula | C18H19N5O4S2 |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 3.53559 |
| Topological Polar Surface Area | 114.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.08786 |
| Heavy Atoms | 29 |
| Complexity | 1195.4895 |
Chemical Identifiers
| CAS Number | 519151-98-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide (CAS 519151-98-5), with molecular formula C18H19N5O4S2 and molecular weight 433.09 g/mol. IUPAC: N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide.
Chemical Property Profile of N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
Property Insights of N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
The XLogP value of 3.53559 indicates that N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide has 1 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,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
The CAS number of N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide is 519151-98-5.
What is the molecular formula of N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
The molecular formula of N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide is C18H19N5O4S2.
What is the molecular weight of N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
The molecular weight of N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide is 433.09 g/mol.
Where can I buy N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
You can request a quote for N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.