2,1,3-Benzothiadiazole-4-sulfonamide

Base Information

• Chemical Name: 2,1,3-Benzothiadiazole-4-sulfonamide
• CAS No.: 89488-04-0
• Molecular Formula: C₆H₅N₃O₂S₂
• Molecular Weight: 215.257
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00362554
• Wikidata: Q82145727
• Mol file: 89488-04-0.mol

Synonyms:2,1,3-benzothiadiazole-4-sulfonamide;89488-04-0;Benzo-2,1,3-thiadiazole-4-sulfonamide;benzo-2,1,3-thiadiazole-4-sulphonamide;benzo[c][1,2,5]thiadiazole-4-sulfonamide;C6H5N3O2S2;SCHEMBL4111126;DTXSID00362554;benzo-2,1,3-thiadiazolesulfonamide;MFCD02091385;AKOS000147397;AKOS003859046;CCG-353425;NCGC00336485-01;2lambda4,1,3-benzothiadiazole-4-sulfonamide;FT-0725474;EN300-27007;Benzo[1,2,5]thiadiazole-4-sulfonic acid amide;EN300-197137;AB01331063-02;F2158-2263;Z1269142421

Chemical Property of 2,1,3-Benzothiadiazole-4-sulfonamide

Chemical Property:

• PSA: 122.56000
• LogP: 2.11980
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 214.98231876
• Heavy Atom Count: 13
• Complexity: 287

Purity/Quality:

98%min ^*data from raw suppliers

Benzo-2,1,3-thiadiazole-4-sulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1)S(=O)(=O)N

Technology Process of 2,1,3-Benzothiadiazole-4-sulfonamide

There total 2 articles about 2,1,3-Benzothiadiazole-4-sulfonamide 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: 100.0%

benzo(1,2,5)thiadiazole-4-sulfonyl chloride (73713-79-8) → benzo[1,2,5]thiadiazole-4-sulfonic acid amide (89488-04-0)

Guidance literature:

With ammonia; In dichloromethane; at -78 ℃; for 4h;

DOI:10.1021/jm9607818

Reference yield:

→ benzo[1,2,5]thiadiazole-4-sulfonic acid amide (89488-04-0)

Guidance literature:

Reference yield:

benzo[1,2,5]thiadiazole-4-sulfonic acid amide (89488-04-0) → Benzo[1,2,5]thiadiazole-4-sulfonic acid 1-(4-chloro-phenylamino)-1-hydroxyamino-meth-(Z)-ylideneamide

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) aq. NaOH

2: 31.2 percent / NH₂OH*HCl, Et₃N / CHCl₃ / 48 h / Heating

With sodium hydroxide; hydroxylamine hydrochloride; triethylamine; In chloroform;

DOI:10.1021/jm9607818

upstream raw materials:

benzo(1,2,5)thiadiazole-4-sulfonyl chloride

Downstream raw materials:

Benzo[1,2,5]thiadiazole-4-sulfonic acid 1-(4-chloro-phenylamino)-1-methylsulfanyl-meth-(Z)-ylideneamide

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