N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide
TL;DR: N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide (CAS 91431-22-0) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide
Also Known As: N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide, VU0489339-1, diethyl[(4-methyl-3-nitrophenyl)sulfonyl]amine, AB00276168-03, N,N-diethyl-4-methyl-3-nitro-benzenesulfonamide
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.93372 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 550.1617 |
Chemical Identifiers
| CAS Number | 91431-22-0 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-] |
Product Overview
N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide (CAS 91431-22-0), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide
Property Insights of N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide
The XLogP value of 1.93372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide has 0 hydrogen bond donor(s) and 4 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-4-methyl-3-nitrobenzenesulfonamide?
The CAS number of N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide is 91431-22-0.
What is the molecular formula of N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular formula of N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide is C11H16N2O4S.
What is the molecular weight of N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular weight of N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide is 272.08 g/mol.
Where can I buy N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide?
You can request a quote for N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide 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-4-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-4-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.