N-(2-phenoxyphenyl)methanesulfonamide

Base Information

• Chemical Name: N-(2-phenoxyphenyl)methanesulfonamide
• CAS No.: 51765-51-6
• Molecular Formula: C13H13NO3S
• Molecular Weight: 263.317
• Hs Code.: 2922299090
• European Community (EC) Number: 257-399-1
• DSSTox Substance ID: DTXSID40966070
• Nikkaji Number: J294.901F
• Wikidata: Q72501037
• ChEMBL ID: CHEMBL1550604
• Mol file: 51765-51-6.mol

Synonyms:51765-51-6;N-(2-phenoxyphenyl)methanesulfonamide;(2-PHENOXY)METHYLSULFONYLANILINE;2-Phenoxymethanesulfonanilide;N-(2-Phenoxyphenyl)methanesulphonamide;MLS000113923;2-Phenoxymethanesulfoanilide;Cambridge id 7303009;2'phenoxymethanesulfonanilide;Oprea1_424323;SCHEMBL8719438;CHEMBL1550604;DTXSID40966070;HMS2186J19;BCA76551;EINECS 257-399-1;MFCD03389778;STK422003;AKOS003273323;NIMESULIDE IMPURITY-B (EP/BP);N-[2-(phenoxy)phenyl]methanesulfonamide;AS-15109;SMR000109813;CS-0150121;A871194;AO-548/13411005;SR-01000258076;Q-200315;SR-01000258076-1

Chemical Property of N-(2-phenoxyphenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 6.08E-06mmHg at 25°C
• Melting Point: 126℃
• Refractive Index: 1.618
• Boiling Point: 378.9 °C at 760 mmHg
• PKA: 8.43±0.10(Predicted)
• Flash Point: 183 °C
• PSA: 63.78000
• Density: 1.313 g/cm³
• LogP: 4.00420
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), DMSO
• Water Solubility.: 176.1mg/L at 25℃
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 263.06161445
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

99.9% ^*data from raw suppliers

2''-Phenoxymethanesulfonanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=CC=C1OC2=CC=CC=C2
• Uses: 2''-Phenoxymethanesulfonanilide is a metabolite of nimesulide (N477500), which is an antiinflammatory agent. It preferentially inhibits COX-2 over COX-1 and suppresses chemical-induced carcinogenesis in mice and rats. Nimesulide also nhibits LPS-induced TNF-alpha production.

Technology Process of N-(2-phenoxyphenyl)methanesulfonamide

There total 2 articles about N-(2-phenoxyphenyl)methanesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

methanesulfonyl chloride (124-63-0) + 2-phenoxyaniline (2688-84-8) → N-(2-Phenoxyphenyl)-methansulfonamid (51765-51-6)

Guidance literature:

In pyridine; 2 h. 25 degC;

Reference yield:

→ N-(2-Phenoxyphenyl)-methansulfonamid (51765-51-6)

Guidance literature:

2-Phenoxyanilin, Methansulfonylchlorid;

Reference yield: 80.0%

N-(2-Phenoxyphenyl)-methansulfonamid (51765-51-6) → 2-phenoxymethanesulfonanilide sodium salt

Guidance literature:

With sodium; In tetrahydrofuran; for 6h; Heating;

DOI:10.1039/b211295g

upstream raw materials:

methanesulfonyl chloride

2-phenoxyaniline

Downstream raw materials:

nimesulide