Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-

Base Information

• Chemical Name: Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-
• CAS No.: 19077-98-6
• Molecular Formula: C13H13 N3 O3 S
• Molecular Weight: 291.331
• Hs Code.: 2935009090
• European Community (EC) Number: 242-802-5
• UNII: 3CM4B5MZJP
• DSSTox Substance ID: DTXSID5066453
• Nikkaji Number: J43.364K
• Wikidata: Q27257040
• Metabolomics Workbench ID: 71541
• ChEMBL ID: CHEMBL1507581
• Mol file: 19077-98-6.mol

Synonyms:N-acetylsulfapyridine

Chemical Property of Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-

Chemical Property:

• Melting Point: 226-228?C
• Refractive Index: 1.6740 (estimate)
• PSA: 96.54000
• Density: 1.3362 (rough estimate)
• LogP: 3.06760
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 0.32g/L(37 oC)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 291.06776246
• Heavy Atom Count: 20
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

N-AcetylSulfapyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2
• Uses: A major active metabolite related to the adverse effects of Sulfasalazine in human serum.

Technology Process of Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-

There total 8 articles about Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]- 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:

2-aminopyridine (504-29-0) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → N-acetylsulfapyridine (19077-98-6)

Guidance literature:

With sodium hydroxide; water;

Reference yield:

acetic anhydride (108-24-7) → N-acetylsulfapyridine (19077-98-6)

Guidance literature:

With water; sodium acetate;

DOI:10.1126/science.88.2295.597

Reference yield:

2-bromo-pyridine (109-04-6) + p-acetylaminobenzenesulfonamide (121-61-9) → N-acetylsulfapyridine (19077-98-6)

Guidance literature:

With copper; potassium carbonate; at 220 ℃;

DOI:10.1039/jr9410000009

upstream raw materials:

2-aminopyridine

p-acetylaminobenzenesulfonyl chloride

2-bromo-pyridine

p-acetylaminobenzenesulfonamide

Downstream raw materials:

(E)-4-((4-hydroxy-3,5-dimethylphenyl)diazenyl)-N-(pyridin-2-yl)-benzenesulfonamide