4-amino-N-(3-fluorophenyl)benzene-1-sulfonamide

Base Information

• Chemical Name: 4-amino-N-(3-fluorophenyl)benzene-1-sulfonamide
• CAS No.: 1494-84-4
• Molecular Formula: C12H11FN2O2S
• Molecular Weight: 266.2913432
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID90588408
• Wikidata: Q82481065
• Mol file: 1494-84-4.mol

Synonyms:1494-84-4;4-Amino-N-(3-fluorophenyl)benzenesulfonamide;4-amino-N-(3-fluorophenyl)benzene-1-sulfonamide;4-Amino-N-(3-fluorophenyl)benzenesulphonamide;SCHEMBL24125035;DTXSID90588408;BAA49484;AKOS000137687;MCULE-1961127944;TS-00863;EN300-42349;G32257;Benzenesulfonamide, 4-amino-N-(3-fluorophenyl)-;J-008593;Z278031394

Chemical Property of 4-amino-N-(3-fluorophenyl)benzene-1-sulfonamide

Chemical Property:

• PSA: 80.57000
• LogP: 3.94370
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.05252693
• Heavy Atom Count: 18
• Complexity: 361

Purity/Quality:

98%Min ^*data from raw suppliers

4-Amino-N-(3-fluorophenyl)benzenesulphonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-amino-N-(3-fluorophenyl)benzene-1-sulfonamide

There total 5 articles about 4-amino-N-(3-fluorophenyl)benzene-1-sulfonamide 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:

C14H13FN2O3S → Sulfanilsaeure-(3-fluor-anilid) (1494-84-4)

Guidance literature:

C₁₄H₁₃FN₂O₃S; With sodium hydroxide; In water; at 100 ℃; for 4h;

With sulfuric acid; In water; pH=6;

Reference yield:

meta-fluoroaniline (372-19-0) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → Sulfanilsaeure-(3-fluor-anilid) (1494-84-4)

Guidance literature:

meta-fluoroaniline; p-acetylaminobenzenesulfonyl chloride; With triethylamine; In chloroform; at 20 ℃; for 6h;

With hydrogenchloride; In ethanol; for 3h; Reflux;

DOI:10.1039/c8nj03671c

Reference yield:

meta-fluoroaniline (372-19-0) → Sulfanilsaeure-(3-fluor-anilid) (1494-84-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol / Reflux

2.1: sodium hydroxide / water / 4 h / 100 °C

2.2: pH 6

With sodium hydroxide; In ethanol; water;

upstream raw materials:

meta-fluoroaniline

p-acetylaminobenzenesulfonyl chloride