4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

Base Information

• Chemical Name: 4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
• CAS No.: 10589-64-7
• Molecular Formula: C13H11ClN2O4S
• Molecular Weight: 326.76
• European Community (EC) Number: 665-411-5
• DSSTox Substance ID: DTXSID10394104
• Wikidata: Q82193305
• ChEMBL ID: CHEMBL2285851

Synonyms:4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide;10589-64-7;CHEMBL2285851;DTXSID10394104;CNZQESBPARGYEP-UHFFFAOYSA-N;STL368615;AKOS002963681;4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide

Chemical Property of 4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 326.0128057
• Heavy Atom Count: 21
• Complexity: 466

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

There total 1 articles about 4-chloro-N-(2-methyl-4-nitrophenyl)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: 31.0%

4-chlorobenzenesulfonyl chloride (98-60-2) + 2-methyl-4-nitro-benzenamine (99-52-5) → 4-chloro-2'-methyl-4'-nitrobenzenesulfonanilide (10589-64-7)

Guidance literature:

With pyridine; at 20 ℃;

DOI:10.1016/j.bmc.2006.10.029

Reference yield: 96.0%

4-chloro-2'-methyl-4'-nitrobenzenesulfonanilide (10589-64-7) + methyl iodide (74-88-4) → 4-chloro-2',N-dimethyl-4'-nitrobenzenesulfonanilide (945735-45-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1016/j.bmc.2006.10.029

Reference yield: 93.0%

4-chloro-2'-methyl-4'-nitrobenzenesulfonanilide (10589-64-7) → N-(4-amino-2-methyl-phenyl)-4-chloro-benzenesulfonamide

Guidance literature:

With hydrogenchloride; tin; In tetrahydrofuran; for 0.5h; Heating;

DOI:10.1016/j.bmc.2006.10.029

upstream raw materials:

4-chlorobenzenesulfonyl chloride

2-methyl-4-nitro-benzenamine

Downstream raw materials:

4-chloro-2',N-dimethyl-4'-nitrobenzenesulfonanilide

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