N-[(4-fluorophenyl)methyl]benzenesulfonamide

Base Information

• Chemical Name: N-[(4-fluorophenyl)methyl]benzenesulfonamide
• CAS No.: 6125-28-6
• Molecular Formula: C13H12FNO2S
• Molecular Weight: 265.3033
• DSSTox Substance ID: DTXSID90357999
• Nikkaji Number: J3.392.789D
• Wikidata: Q82138236

Synonyms:N-[(4-fluorophenyl)methyl]benzenesulfonamide;424819-35-2;6125-28-6;N-(4-fluorobenzyl)benzenesulfonamide;CBMicro_046236;Oprea1_160808;SCHEMBL4663044;DTXSID90357999;STK215384;AKOS001065084;BIM-0046349.P001;CS-0235643;EN300-15946;E83780;AN-652/12343345;SR-01000045630;SR-01000045630-1;Z45546069

Chemical Property of N-[(4-fluorophenyl)methyl]benzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.49E-07mmHg at 25°C
• Boiling Point: 414.3°C at 760 mmHg
• Flash Point: 204.4°C
• Density: 1.294g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 265.05727796
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)F

Technology Process of N-[(4-fluorophenyl)methyl]benzenesulfonamide

There total 2 articles about N-[(4-fluorophenyl)methyl]benzenesulfonamide 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:

4-methylbenzo-1,3-disulfonamide (717-44-2) → 6-Sulfamoyl-2-methyl-saccharin (6125-28-6)

Guidance literature:

Multi-step reaction with 2 steps

1: KMnO₄

2: aq. Na₂CO₃

With potassium permanganate; sodium carbonate;

DOI:10.1002/jps.2600511126

Reference yield:

3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide (14121-27-8) + methyl iodide (74-88-4) → 6-Sulfamoyl-2-methyl-saccharin (6125-28-6)

Guidance literature:

With sodium carbonate;

DOI:10.1002/jps.2600511126

upstream raw materials:

3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide

methyl iodide

4-methylbenzo-1,3-disulfonamide

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