4-amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide

Base Information

• Chemical Name: 4-amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
• CAS No.: 16806-29-4
• Deprecated CAS: 28830-89-9
• Molecular Formula: C8H8 N4 O2 S2
• Molecular Weight: 256.309
• Hs Code.: 2935009090
• NSC Number: 35261
• DSSTox Substance ID: DTXSID50873827
• Nikkaji Number: J1.287.790K
• Wikidata: Q81981280
• ChEMBL ID: CHEMBL286737
• Mol file: 16806-29-4.mol

Synonyms:16806-29-4;4-amino-n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide;CHEMBL286737;Sulfathiadiazole;NSC35261;SCHEMBL282714;DTXSID50873827;2-Sulfanilamido-1,3,4-thiadiazole;BDBM50034417;NSC-35261;AKOS000205626;CS-0224690;EN300-120472;A1-13781;4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamide;Benzenesulfonamide, 4-amino-N-1,3,4-thiadiazol-2-yl-;Z276572732

Chemical Property of 4-amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide

Chemical Property:

• Vapor Pressure: 1.01E-09mmHg at 25°C
• Refractive Index: 1.6440 (estimate)
• Boiling Point: 489.3°C at 760 mmHg
• Flash Point: 249.7°C
• PSA: 134.59000
• Density: 1.634g/cm³
• LogP: 2.65610
• Water Solubility.: 0.73g/L(37 oC)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 256.00886786
• Heavy Atom Count: 16
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=CS2

Technology Process of 4-amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide

There total 6 articles about 4-amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-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: 49.0%

N-(4-(N-(1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide (6880-66-6) → Sulfathiadiazole (16806-29-4)

Guidance literature:

N-(4-(N-(1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide; With hydrogenchloride; In water; for 0.5h; Reflux;

With sodium carbonate; In water;

Reference yield: 31.0%

4-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (349621-27-8) → Sulfathiadiazole (16806-29-4)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; for 3h; Reflux;

Reference yield:

4-Nitrobenzenesulfonyl chloride (98-74-8) → Sulfathiadiazole (16806-29-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 2 h / 20 °C

2: hydrogenchloride / iron / ethanol; water / 3 h / Reflux

With hydrogenchloride; iron; In pyridine; ethanol; water;

upstream raw materials:

[1,3,4]Thiadiazol-2-ylamin

4-Nitrobenzenesulfonyl chloride

p-acetylaminobenzenesulfonyl chloride

N-(4-(N-(1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide

Downstream raw materials:

4-iodo-benzenesulfonic acid-[1,3,4]thiadiazol-2-ylamide

N-(4-(N-(1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)decanamide

Refernces

• 1、 -. "SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME". Page/Page column 84. . Retrieved 2009/12/02.