2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methylideneamino]benzamide

Base Information

• Chemical Name: 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methylideneamino]benzamide
• CAS No.: 477734-42-2
• Molecular Formula: C₂₀H₁₅ClFN₃O₃S
• Molecular Weight: 431.875
• European Community (EC) Number: 647-187-0
• DSSTox Substance ID: DTXSID60400027
• Mol file: 477734-42-2.mol

Synonyms:2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methylideneamino]benzamide;477734-42-2;DTXSID60400027

Chemical Property of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methylideneamino]benzamide

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 431.0506684
• Heavy Atom Count: 29
• Complexity: 669

Purity/Quality:

4-CL-N-(2-((2-(4-FLUOROBENZYLIDENE)HYDRAZINO)CARBONYL)PHENYL)BENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)Cl

Technology Process of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methylideneamino]benzamide

There total 4 articles about 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methylideneamino]benzamide 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: 80.4%

4-chloro-N-[2-(hydrazinocarbonyl)phenyl]benzenesulfonamide + 4-fluorobenzaldehyde (459-57-4) → 4-chloro-N-[2-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonyl)phenyl]benzenesulfonamide (477734-42-2)

Guidance literature:

In methanol; for 2h; Reflux;

DOI:10.1016/j.molstruc.2019.02.056

Reference yield:

N-(2-(methoxycarbonyl)phenyl)-4-chlorobenzenesulfonamide (200633-37-0) → 4-chloro-N-[2-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonyl)phenyl]benzenesulfonamide (477734-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / acetonitrile / 2 h / Reflux

2: methanol / 2 h / Reflux

With hydrazine hydrate; In methanol; acetonitrile;

DOI:10.1016/j.molstruc.2019.02.056

Reference yield:

2-carbomethoxyaniline (134-20-3) → 4-chloro-N-[2-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonyl)phenyl]benzenesulfonamide (477734-42-2)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / 2 h / 20 °C

2: hydrazine hydrate / acetonitrile / 2 h / Reflux

3: methanol / 2 h / Reflux

With pyridine; hydrazine hydrate; In methanol; acetonitrile;

DOI:10.1016/j.molstruc.2019.02.056

upstream raw materials:

N-(2-(methoxycarbonyl)phenyl)-4-chlorobenzenesulfonamide

4-fluorobenzaldehyde

2-carbomethoxyaniline

4-chlorobenzenesulfonyl chloride