N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide
TL;DR: N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide (CAS 879477-79-9) is a chemical compound with molecular formula C19H18N4O5S and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-prop-2-enylbenzenesulfonamide
Also Known As: N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide, N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-prop-2-enylbenzenesulfonamide, N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(prop-2-en-1-yl)benzenesulfonamide
| Molecular Formula | C19H18N4O5S |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 3.33012 |
| Topological Polar Surface Area | 119.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.0998 |
| Heavy Atoms | 29 |
| Complexity | 1139.416 |
Chemical Identifiers
| CAS Number | 879477-79-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=N2)CN(CC=C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] |
Product Overview
N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide (CAS 879477-79-9), with molecular formula C19H18N4O5S and molecular weight 414.10 g/mol. IUPAC: N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-prop-2-enylbenzenesulfonamide.
Chemical Property Profile of N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide
Property Insights of N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide
The XLogP value of 3.33012 indicates that N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide has 0 hydrogen bond donor(s) and 7 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-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide?
The CAS number of N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide is 879477-79-9.
What is the molecular formula of N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide?
The molecular formula of N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide is C19H18N4O5S.
What is the molecular weight of N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide?
The molecular weight of N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide is 414.10 g/mol.
Where can I buy N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide?
You can request a quote for N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-3-nitro-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.