N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide
TL;DR: N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide (CAS 835896-00-9) is a chemical compound with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide
Also Known As: N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide, N-(2-methyl-5-nitrophenyl)-4-(methylsulfanyl)benzenesulfonamide
| Molecular Formula | C14H14N2O4S2 |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 3.42592 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0395 |
| Heavy Atoms | 22 |
| Complexity | 802.0926 |
Chemical Identifiers
| CAS Number | 835896-00-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)SC |
Product Overview
N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide (CAS 835896-00-9), with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol. IUPAC: N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide.
Chemical Property Profile of N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide
Property Insights of N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide
The XLogP value of 3.42592 indicates that N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide has 1 hydrogen bond donor(s) and 5 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-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide?
The CAS number of N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide is 835896-00-9.
What is the molecular formula of N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide?
The molecular formula of N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide is C14H14N2O4S2.
What is the molecular weight of N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide?
The molecular weight of N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide is 338.04 g/mol.
Where can I buy N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide?
You can request a quote for N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-5-nitrophenyl)-4-methylsulfanylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.