4-Fluoro-N-(4-fluorophenyl)benzenesulfonamide

Base Information

• Chemical Name: 4-Fluoro-N-(4-fluorophenyl)benzenesulfonamide
• CAS No.: 312-58-3
• Molecular Formula: C12H9F2NO2S
• Molecular Weight: 269.272
• DSSTox Substance ID: DTXSID101251413
• ChEMBL ID: CHEMBL183231
• Mol file: 312-58-3.mol

Synonyms:4-Fluoro-N-(4-fluorophenyl)benzenesulfonamide;Cambridge id 5348944;312-58-3;CHEMBL183231;SCHEMBL7501950;DTXSID101251413;STK021708;AKOS003235870;4-Fluoro-N-(4-fluoro-phenyl)-benzenesulfonamide;4-Fluoro-N-(4-fluorophenyl)benzenesulfonamide #;AB00082056-01;4-fluoro-N-(4-fluorophenyl)-1-benzenesulfonamide;4-fluoro-N-(4-fluorophenyl)benzene-1-sulfonamide;AE-848/06093047;Benzenesulfonamide, 4-fluoro-N-(4-fluorophenyl)-;SR-01000206204;SR-01000206204-1

Chemical Property of 4-Fluoro-N-(4-fluorophenyl)benzenesulfonamide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.03220603
• Heavy Atom Count: 18
• Complexity: 353

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F)F

Technology Process of 4-Fluoro-N-(4-fluorophenyl)benzenesulfonamide

There total 2 articles about 4-Fluoro-N-(4-fluorophenyl)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: 92.0%

4-Fluorobenzenesulfonyl chloride (349-88-2) + 4-fluoroaniline (371-40-4) → 4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (312-58-3)

Guidance literature:

In pyridine; methanol; for 1h;

DOI:10.1007/BF00956584

Reference yield:

fluorobenzene (462-06-6) → 4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (312-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: chlorosulfonic acid / 2.5 h / 150 °C

1.2: 3 h / 150 °C

2.1: acetonitrile / 2 h / 20 °C

With chlorosulfonic acid; In acetonitrile;

DOI:10.1039/c4nj01191k

Reference yield: 98.0%

4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (312-58-3) → C12H8F2NO2S(1-)*Li(1+)

Guidance literature:

With lithium; In tetrahydrofuran; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1039/c4nj01191k

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

4-fluoroaniline

fluorobenzene

Downstream raw materials:

F(C₆H₄)N(Hg(C₆H₅))SO₂(C₆H₄)F

2-(4-fluoro-N-(4-fluorophenyl)phenylsulfonamido)acetic acid

2-(4-fluoro-N-(4-fluorophenyl)phenylsulfonamido)-N-((6-(6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yl)methyl)acetamide

methyl 2-(4-fluoro-N-(4-fluorophenyl)phenylsulfonamido)acetate

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