6-Chloropyridine-3-sulfonamide

Base Information

• Chemical Name: 6-Chloropyridine-3-sulfonamide
• CAS No.: 40741-46-6
• Molecular Formula: C5H5ClN2O2S
• Molecular Weight: 192.626
• Hs Code.: 2935009090
• European Community (EC) Number: 817-203-2
• DSSTox Substance ID: DTXSID00360919
• Wikidata: Q72458563
• Mol file: 40741-46-6.mol

Synonyms:6-chloropyridine-3-sulfonamide;40741-46-6;6-chloro-3-pyridinesulfonamide;3-Pyridinesulfonamide, 6-chloro-;6-Chloro-pyridine-3-sulfonic acid amide;2-Chloro-5-pyridinesulfonamide;MFCD00661410;2-Chloro-5-Sulfamoylpyridine;SCHEMBL188710;2-chloropyridine-5-sulfonamide;AMY9884;DTXSID00360919;HMS1748P07;6-Chloropyridine-3-sulfonamide, 98%;AKOS000137113;6-Chloropyridine-3-sulfonic acid amide;CS-W008954;SB52468;6-choro-pyridine-3-sulfonic acid amide;BS-13412;SY113923;A6802;FT-0646200;EN300-12582;AJ-333/25006210;J-518653;Z45415626;F2113-0302

Chemical Property of 6-Chloropyridine-3-sulfonamide

Chemical Property:

• Vapor Pressure: 4.47E-06mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 383.2 °C at 760 mmHg
• PKA: 9.24±0.60(Predicted)
• Flash Point: 185.6 °C
• PSA: 81.43000
• Density: 1.558 g/cm³
• LogP: 2.16350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.9760263
• Heavy Atom Count: 11
• Complexity: 223

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Chloro-3-pyridinesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1S(=O)(=O)N)Cl
• Uses: 6-Chloro-3-pyridinesulfonamide, is a heterocylic building block used for chemical synthesis. It can also be used for the synthesis of diuretics and carbonic anhydrase inhibitors.

Technology Process of 6-Chloropyridine-3-sulfonamide

There total 5 articles about 6-Chloropyridine-3-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: 98.0%

2-chloropyridine-5-sulfonyl chloride (6684-39-5) → 6-chloro-pyridine-3-sulfonic acid amide (40741-46-6)

Guidance literature:

With ammonia; In 1,4-dioxane; at -5 - 20 ℃; for 1h;

Reference yield: 83.0%

→ 6-chloro-pyridine-3-sulfonic acid amide (40741-46-6)

Guidance literature:

Reference yield:

6-Chloro-pyridin-3-ylamine (5350-93-6) → 6-chloro-pyridine-3-sulfonic acid amide (40741-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; hydrogenchloride / water / 0 °C

2: pyridine; ammonia / 0 °C

With pyridine; hydrogenchloride; ammonia; sodium nitrite; In water;

DOI:10.1016/j.bmcl.2013.04.049

upstream raw materials:

2-chloropyridine-5-sulfonyl chloride

1-methyl-6-oxo-1,6-dihydro-pyridine-3-sulfonic acid

6-hydroxy-pyridine-3-sulfonic acid

6-Chloro-pyridin-3-ylamine

Downstream raw materials:

6-methoxypyridine-3-sulfonamide

6-benzylamino-pyridine-3-sulfonic acid amide

6-aminopyridine-3-sulfonamide

6-hydroxy-pyridine-3-sulfonic acid amide

Refernces

• 1、 -. "MTH1 INHIBITORS FOR TREATMENT OF CANCER". Page/Page column 124. . Retrieved 2015/12/30.
• 2、 -. "MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS". Page/Page column 302; 303. . Retrieved 2016/04/04.