N-allyl-N-methyl-4-nitrobenzenesulfonamide
TL;DR: N-allyl-N-methyl-4-nitrobenzenesulfonamide (CAS 853751-21-0) is a chemical compound with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-nitro-N-prop-2-enylbenzenesulfonamide
Also Known As: N-allyl-N-methyl-4-nitrobenzenesulfonamide, N-methyl-4-nitro-N-prop-2-enylbenzenesulfonamide, N-allyl-4-nitro-N-methylbenzenesulfonamide, J3.162.181J, AS-871/43240382
| Molecular Formula | C10H12N2O4S |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 1.4013 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0518 |
| Heavy Atoms | 17 |
| Complexity | 521.7418 |
Chemical Identifiers
| CAS Number | 853751-21-0 |
|---|---|
| SMILES | CN(CC=C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-allyl-N-methyl-4-nitrobenzenesulfonamide (CAS 853751-21-0), with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol. IUPAC: N-methyl-4-nitro-N-prop-2-enylbenzenesulfonamide.
Chemical Property Profile of N-allyl-N-methyl-4-nitrobenzenesulfonamide
Property Insights of N-allyl-N-methyl-4-nitrobenzenesulfonamide
The XLogP value of 1.4013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-N-methyl-4-nitrobenzenesulfonamide. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-N-methyl-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-allyl-N-methyl-4-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-allyl-N-methyl-4-nitrobenzenesulfonamide?
The CAS number of N-allyl-N-methyl-4-nitrobenzenesulfonamide is 853751-21-0.
What is the molecular formula of N-allyl-N-methyl-4-nitrobenzenesulfonamide?
The molecular formula of N-allyl-N-methyl-4-nitrobenzenesulfonamide is C10H12N2O4S.
What is the molecular weight of N-allyl-N-methyl-4-nitrobenzenesulfonamide?
The molecular weight of N-allyl-N-methyl-4-nitrobenzenesulfonamide is 256.05 g/mol.
Where can I buy N-allyl-N-methyl-4-nitrobenzenesulfonamide?
You can request a quote for N-allyl-N-methyl-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N-methyl-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N-methyl-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.