phenyl N-methyl-4-nitrobenzenesulfonimidate
TL;DR: phenyl N-methyl-4-nitrobenzenesulfonimidate (CAS 15934-42-6) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.0518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methylimino-(4-nitrophenyl)-oxo-phenoxy-λ6-sulfane
Also Known As: phenyl N-methyl-4-nitrobenzenesulfonimidate, methylimino-(4-nitrophenyl)-oxo-phenoxy-
Technical Specifications
| Molecular Formula | C13H12N2O4S |
| Molecular Weight | 292.0518 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0518 Da |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
| SMILES | CN=S(=O)(C1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 |
| InChIKey | ZNNXLCYPPCJEQL-UHFFFAOYSA-N |
Chemical Property Profile of phenyl N-methyl-4-nitrobenzenesulfonimidate
Property Insights of phenyl N-methyl-4-nitrobenzenesulfonimidate
The XLogP value of 3.6 indicates that phenyl N-methyl-4-nitrobenzenesulfonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for phenyl N-methyl-4-nitrobenzenesulfonimidate. Following Lipinski's Rule of Five, phenyl N-methyl-4-nitrobenzenesulfonimidate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of phenyl N-methyl-4-nitrobenzenesulfonimidate?
The CAS number of phenyl N-methyl-4-nitrobenzenesulfonimidate is 15934-42-6.
What is the molecular formula of phenyl N-methyl-4-nitrobenzenesulfonimidate?
The molecular formula of phenyl N-methyl-4-nitrobenzenesulfonimidate is C13H12N2O4S.
What is the molecular weight of phenyl N-methyl-4-nitrobenzenesulfonimidate?
The molecular weight of phenyl N-methyl-4-nitrobenzenesulfonimidate is 292.0518 g/mol.
Where can I buy phenyl N-methyl-4-nitrobenzenesulfonimidate?
You can request a quote for phenyl N-methyl-4-nitrobenzenesulfonimidate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for phenyl N-methyl-4-nitrobenzenesulfonimidate?
Yes, CoreyChem provides custom synthesis services for phenyl N-methyl-4-nitrobenzenesulfonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.