4-amino-N-(4-fluorophenyl)benzenesulfonamide

Base Information

• Chemical Name: 4-amino-N-(4-fluorophenyl)benzenesulfonamide
• CAS No.: 1494-85-5
• Molecular Formula: C12H11 F N2 O2 S
• Molecular Weight: 266.296
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID90164261
• Wikidata: Q83033319
• ChEMBL ID: CHEMBL227415
• Mol file: 1494-85-5.mol

Synonyms:4-amino-N-(4-fluorophenyl)benzenesulfonamide;1494-85-5;Benzenesulfonamide, 4-amino-N-(4-fluorophenyl)-;Sulfanilanilide, 4'-fluoro-;4'-Fluorosulfanilanilide;4-Amino-N-(4-fluoro-phenyl)-benzenesulfonamide;BRN 2657936;C12H11FN2O2S;4-amino-N-(4-fluorophenyl)benzene-1-sulfonamide;3-14-00-01926 (Beilstein Handbook Reference);Oprea1_419957;Oprea1_577999;CHEMBL227415;SCHEMBL4573594;DTXSID90164261;MFCD01016124;STK091009;AKOS000139911;C12-H11-F-N2-O2-S;TS-00862;LS-147851;CS-0186940;EN300-54422;4-Amino-N-(4-fluorophenyl)-benzenesulfonamide;D97318;SR-01000476984;SR-01000476984-1;Z57201394;F0915-6024

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

Chemical Property:

• Vapor Pressure: 5.37E-08mmHg at 25°C
• Melting Point: 163-164 °C
• Boiling Point: 441.6°Cat760mmHg
• PKA: 8.94±0.10(Predicted)
• Flash Point: 220.9°C
• PSA: 80.57000
• Density: 1.439g/cm³
• LogP: 3.94370
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.05252693
• Heavy Atom Count: 18
• Complexity: 353

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)F

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

There total 9 articles about 4-amino-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: 100.0%

N-(4-fluorophenyl)-4-nitrobenzene sulphonamide (1545-96-6) → 4-amino-N-(4-fluorophenyl)benzene-1-sulfonamide (1494-85-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.bmc.2006.10.029

Reference yield: 91.0%

N-(4-(N-(4-fluorophenyl)sulfamoyl)phenyl)acetamide (599-78-0) → 4-amino-N-(4-fluorophenyl)benzene-1-sulfonamide (1494-85-5)

Guidance literature:

With hydrogenchloride; In ethanol; at 75 ℃;

DOI:10.1016/j.bmcl.2017.08.012

Reference yield: 78.0%

→ 4-amino-N-(4-fluorophenyl)benzene-1-sulfonamide (1494-85-5)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 70 ℃; for 12h;

upstream raw materials:

N-(4-(N-(4-fluorophenyl)sulfamoyl)phenyl)acetamide

4-fluoroaniline

p-acetylaminobenzenesulfonyl chloride

N-(4-fluorophenyl)-4-nitrobenzene sulphonamide

Downstream raw materials:

N-(4-fluorophenyl)-4-(phenylureido)benzene sulphonamide

C₂₁H₁₇FN₂O₅S

C₁₉H₁₅FN₂O₆S

Refernces

• 1、 ?imková, Ludmila,Císa?ová, Ivana,Cu?ínová, Petra,Ludvík, Ji?í,Sykora, Jan,Salvadori, Karolína. "Sulphonamidic Groups as Electron-Withdrawing Units in Ureido-Based Anion Receptors: Enhanced Anion Complexation versus Deprotonation". . p. 1401 - 1411. Retrieved 2020/08/05.
• 2、 Wang, Xu,Ahn, Yong-Mo,Lentscher, Adam G.,Lister, Julia S.,Brothers, Robert C.,Kneen, Malea M.,Gerratana, Barbara,Boshoff, Helena I.,Dowd, Cynthia S.. "Design, synthesis, and evaluation of substituted nicotinamide adenine dinucleotide (NAD+) synthetase inhibitors as potential antitubercular agents". supporting information. p. 4426 - 4430. Retrieved 2017/09/12.