N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide
TL;DR: N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide (CAS 80198-24-9) is a chemical compound with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide
Also Known As: N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide, N,N,4-trimethyl-3,5-dinitrobenzene-1-sulfonamide, benzenesulfonamide, N,N,4-trimethyl-3,5-dinitro-, N,N,4-trimethyl-3,5-dinitro-benzenesulfonamide, dimethyl[(4-methyl-3,5-dinitrophenyl)sulfonyl]amine
| Molecular Formula | C9H11N3O6S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 1.06172 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.03687 |
| Heavy Atoms | 19 |
| Complexity | 616.91394 |
Chemical Identifiers
| CAS Number | 80198-24-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)C)[N+](=O)[O-] |
Product Overview
N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide (CAS 80198-24-9), with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol. IUPAC: N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide.
Chemical Property Profile of N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide
Property Insights of N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide
The XLogP value of 1.06172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide. Following Lipinski's Rule of Five, N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide has 0 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,4-trimethyl-3,5-dinitrobenzenesulfonamide?
The CAS number of N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide is 80198-24-9.
What is the molecular formula of N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide?
The molecular formula of N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide is C9H11N3O6S.
What is the molecular weight of N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide?
The molecular weight of N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide is 289.04 g/mol.
Where can I buy N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide?
You can request a quote for N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.