N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide

Base Information

• Chemical Name: N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide
• CAS No.: 312-57-2
• Molecular Formula: C12H9 Cl F N O2 S
• Molecular Weight: 285.726
• Hs Code.: 2935009090
• NSC Number: 373497
• DSSTox Substance ID: DTXSID50321313
• Wikidata: Q82079134
• ChEMBL ID: CHEMBL183271
• Mol file: 312-57-2.mol

Synonyms:N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide;312-57-2;Benzenesulfonamide, N-(4-chlorophenyl)-4-fluoro-;NSC373497;4-fluoro-N-(4-chlorophenyl)benzenesulfonamide;Cambridge id 5358216;(4-chlorophenyl)[(4-fluorophenyl)sulfonyl]amine;CHEMBL183271;SCHEMBL3366221;DTXSID50321313;MFCD00447244;STK073015;AKOS000383817;NSC-373497;Benzenesulfonanilide, 4'-chloro-4-fluoro-;AB00025931-01;AB00025931-02;N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide #;N-(4-chlorophenyl)-4-fluoro-1-benzenesulfonamide

Chemical Property of N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.08E-06mmHg at 25°C
• Melting Point: 146 °C
• Boiling Point: 402.6°C at 760 mmHg
• PKA: 7.31±0.10(Predicted)
• Flash Point: 197.3°C
• PSA: 54.55000
• Density: 1.467g/cm³
• LogP: 4.43370
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.0026556
• Heavy Atom Count: 18
• Complexity: 355

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide

There total 1 articles about N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide 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: 90.0%

4-Fluorobenzenesulfonyl chloride (349-88-2) + 4-chloro-aniline (106-47-8) → 4-fluoro-N-(4-chlorophenyl)benzenesulfonamide (312-57-2)

Guidance literature:

for 48h; Ambient temperature;

Reference yield: 62.0%

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + 4-fluoro-N-(4-chlorophenyl)benzenesulfonamide (312-57-2) → N-(4-chlorophenyl)-4-{[2-(4-morpholinyl)ethyl]amino}benzenesulfonamide (415963-30-3)

Guidance literature:

With n-butyllithium; ammonium chloride; In tetrahydrofuran; hexane; water;

Reference yield:

3-Dimethylamino-1-propanol (3179-63-3) + 4-fluoro-N-(4-chlorophenyl)benzenesulfonamide (312-57-2) → N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide (415963-40-5)

Guidance literature:

3-Dimethylamino-1-propanol; With sodium hydride; In 1,4-dioxane; at 20 ℃; for 1h;

4-fluoro-N-(4-chlorophenyl)benzenesulfonamide; In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1021/jm050645f

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

4-chloro-aniline

Downstream raw materials:

N-(4-chlorophenyl)-4-{[2-(4-morpholinyl)ethyl]amino}benzenesulfonamide

4-(2-methoxyethoxy)-N-(4-chlorophenyl)benzenesulfonamide

N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide

({[4-(2-methoxyethoxy)phenyl]sulfonyl}-4-chloroanilino)acetate

Refernces

• 1、 -. "Pharmaceutically active sulfanilide derivatives". . . Retrieved 2008/06/13.
• 2、 Vigorita,Saporito,Pizzimenti. "N-substituted p-fluorobenzensulfonamides with antimicrobial activity. I.". . p. 514 - 523. Retrieved 2007/10/02.