N1-(4-Cyanophenyl)sulfanilamide

Base Information

• Chemical Name: N1-(4-Cyanophenyl)sulfanilamide
• CAS No.: 25612-07-1
• Molecular Formula: C13H11N3O2S
• Molecular Weight: 273.315
• DSSTox Substance ID: DTXSID30877121
• Nikkaji Number: J1.607.659G
• Wikidata: Q82858858
• Mol file: 25612-07-1.mol

Synonyms:25612-07-1;DTXSID30877121;AKOS000137927;N1-(4-CYANOPHENYL)SULFANILAMIDE;4-amino-N-(4-cyanophenyl)-benzene-sulfonamide

Chemical Property of N1-(4-Cyanophenyl)sulfanilamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 273.05719778
• Heavy Atom Count: 19
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)NS(=O)(=O)C2=CC=C(C=C2)N

Technology Process of N1-(4-Cyanophenyl)sulfanilamide

There total 3 articles about N1-(4-Cyanophenyl)sulfanilamide 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: 66.0%

N-[4-[(4-cyanophenyl)-sulfamoyl]phenyl]acetamide (332943-26-7) → 4-amino-N-(4-cyanophenyl)benzene-1-sulfonamide (25612-07-1)

Guidance literature:

With hydrogenchloride; In acetone; at 20 ℃; for 0.0833333h; Cooling with ice;

DOI:10.1016/j.bmcl.2017.08.012

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → 4-amino-N-(4-cyanophenyl)benzene-1-sulfonamide (25612-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aqueous sulfuric acid

With pyridine; sulfuric acid;

DOI:10.1039/jr9450000732

Reference yield:

4-Aminobenzonitrile (873-74-5) → 4-amino-N-(4-cyanophenyl)benzene-1-sulfonamide (25612-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aqueous sulfuric acid

With pyridine; sulfuric acid;

DOI:10.1039/jr9450000732

upstream raw materials:

N-[4-[(4-cyanophenyl)-sulfamoyl]phenyl]acetamide

p-acetylaminobenzenesulfonyl chloride

4-Aminobenzonitrile

Downstream raw materials:

4-sulfanilylamino-benzoic acid amide

N-[4-[(4-cyanophenyl)-sulfamoyl]phenyl]acetamide

3-[(N-acetyl-sulfanilyl)-amino]-benzoic acid amide

4-[(N-acetyl-sulfanilyl)-amino]-benzoic acid amide