![1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene structure](/static/products/4094/4094-37-5.webp)
1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene
TL;DR: 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene (CAS 4094-37-5) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(4-nitrophenyl)sulfonylbenzene
Also Known As: 2NO2Ph-SO2-4MePh, p-Tolyl 4-nitrophenyl sulfone, 4-Nitrophenyl 4-methylphenyl sulfone, 4-Nitro-4'-methyldiphenylsulfone, 4-Methylphenyl 4-nitrophenyl sulfone
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 4094-37-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RVHDYDZMDKCAOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene (CAS 4094-37-5), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 1-methyl-4-(4-nitrophenyl)sulfonylbenzene.
Chemical Property Profile of 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene
Property Insights of 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene. Following Lipinski's Rule of Five, 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene 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 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene?
The CAS number of 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene is 4094-37-5.
What is the molecular formula of 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene?
The molecular formula of 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene is C13H11NO4S.
What is the molecular weight of 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene?
The molecular weight of 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene is 277.04 g/mol.
Where can I buy 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene?
You can request a quote for 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[(4-nitrophenyl)sulfonyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.