Benzenesulfonamide, N-1H-benzimidazol-2-yl-

Base Information

• Chemical Name: Benzenesulfonamide, N-1H-benzimidazol-2-yl-
• CAS No.: 13068-57-0
• Molecular Formula: C₁₃H₁₁N₃O₂S
• Molecular Weight: 273.315
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40156671
• Nikkaji Number: J861.506C
• Wikidata: Q83024794
• ChEMBL ID: CHEMBL1518903
• Mol file: 13068-57-0.mol

Synonyms:13068-57-0;N-(1H-benzimidazol-2-yl)benzenesulfonamide;Benzenesulfonamide, N-1H-benzimidazol-2-yl-;N-(1H-benzo[d]imidazol-2-yl)benzenesulfonamide;N-(1H-1,3-benzimidazol-2-yl)benzenesulfonamide;MLS000034386;HMS2418F11;N-2-Benzimidazolyl-benzenesulfonamide;Benzenesulfonamide, N-2-benzimidazolyl-;N-1H-Benzimidazol-2-ylbenzenesulfonamide;N-(1H-Benzoimidazol-2-yl)-benzenesulfonamide;CHEMBL1518903;REGID_for_CID_648990;2-phenylsulfonylaminobenzimidazole;DTXSID40156671;MFCD01350346;AKOS001145421;1L-350S;SMR000015035;N-(1H-1,3-benzodiazol-2-yl)benzenesulfonamide;AG-690/33051062;SR-01000321756;SR-01000321756-1;Z57805564;F1635-0140

Chemical Property of Benzenesulfonamide, N-1H-benzimidazol-2-yl-

Chemical Property:

• Vapor Pressure: 1.18E-10mmHg at 25°C
• Boiling Point: 513.5°Cat760mmHg
• Flash Point: 264.4°C
• PSA: 83.23000
• Density: 1.483g/cm³
• LogP: 3.51750
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 273.05719778
• Heavy Atom Count: 19
• Complexity: 401

Purity/Quality:

N-(1H-1,3-Benzimidazol-2-yl)benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N2

Technology Process of Benzenesulfonamide, N-1H-benzimidazol-2-yl-

There total 5 articles about Benzenesulfonamide, N-1H-benzimidazol-2-yl- 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: 72.0%

benzenesulfonyl-carbonimidic acid dichloride (1886-60-8) + 1,2-diamino-benzene (95-54-5) → N-(1H-benzoimidazol-2-yl)-benzenesulfonamide (13068-57-0)

Guidance literature:

In benzene; for 5h; Heating;

DOI:10.1055/s-1982-30036

Reference yield:

1H-benzimidazol-2-amine (934-32-7) + benzenesulfonyl chloride (98-09-9) → N-(1H-benzoimidazol-2-yl)-benzenesulfonamide (13068-57-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.2174/1573406411208061039

Reference yield:

1,2-diamino-benzene (95-54-5) + benzenesulphonylguanidine (4392-37-4) → N-(1H-benzoimidazol-2-yl)-benzenesulfonamide (13068-57-0)

Guidance literature:

at 225 ℃;

DOI:10.1021/jo01166a010

upstream raw materials:

1,2-diamino-benzene

benzenesulphonylguanidine

benzenesulfonyl-carbonimidic acid dichloride

1H-benzimidazol-2-amine