N-(4-fluorophenyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(4-fluorophenyl)-4-methylbenzenesulfonamide
• CAS No.: 727-31-1
• Molecular Formula: C13H12FNO2S
• Molecular Weight: 265.308
• DSSTox Substance ID: DTXSID70222999
• Nikkaji Number: J2.516.050I
• Wikidata: Q83101362
• ChEMBL ID: CHEMBL182556
• Mol file: 727-31-1.mol

Synonyms:N-(4-fluorophenyl)-4-methylbenzenesulfonamide;727-31-1;4'-Fluoro-p-toluenesulfonanilide;p-Toluenesulfonanilide, 4'-fluoro-;N-(4-Fluoro-phenyl)-4-methyl-benzenesulfonamide;N-(4-fluorophenyl)-4-methylbenzene-1-sulfonamide;starbld0016144;CHEMBL182556;SCHEMBL6555446;DTXSID70222999;FVZXDKXFEPVJRE-UHFFFAOYSA-N;p-fluorophenyl p-tolyl sulfonamide;STK414081;AKOS001317005;BB 0258875;N-(4-fluoro-phenyl)-4-methylbenzenesulfonamide;AK-968/03626018;Z45631386

Chemical Property of N-(4-fluorophenyl)-4-methylbenzenesulfonamide

Chemical Property:

• PSA: 54.55000
• LogP: 4.08870
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 265.05727796
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F

Technology Process of N-(4-fluorophenyl)-4-methylbenzenesulfonamide

There total 27 articles about N-(4-fluorophenyl)-4-methylbenzenesulfonamide 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: 100.0%

p-toluenesulfonyl chloride (98-59-9) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)-4-methylbenzenesulfonamide (727-31-1)

Guidance literature:

In pyridine; acetonitrile; at 20 ℃; for 20h;

Reference yield: 97.0%

4-fluoro-1-iodobenzene (352-34-1) + toluene-4-sulfonamide (70-55-3) → N-(4-fluorophenyl)-4-methylbenzenesulfonamide (727-31-1)

Guidance literature:

With copper(l) iodide; manganese(II) fluoride; potassium hydroxide; N,N`-dimethylethylenediamine; In water; at 60 ℃; for 24h;

DOI:10.1002/ejoc.201201218

Reference yield: 93.0%

4-toluenesulfonyl azide (941-55-9) + 4-fluoroboronic acid (1765-93-1) → N-(4-fluorophenyl)-4-methylbenzenesulfonamide (727-31-1)

Guidance literature:

With L-proline-functionalized MCM-41-immobilized-CuCl; air; In methanol; at 20 ℃; for 6h;

DOI:10.1039/c6ra04298h

upstream raw materials:

p-toluenesulfonyl chloride

4-fluoroaniline

4-fluoroboronic acid

toluene-4-sulfonamide

Downstream raw materials:

4-fluoroaniline

6-fluoro-1,4-dimethyl-9-H-carbazole

9-fluoroellipticine

3--6-fluoro-1,4-dimethylcarbazole