2-Chloro-5-methylsulfonylbenzenesulfonamide

Base Information

• Chemical Name: 2-Chloro-5-methylsulfonylbenzenesulfonamide
• CAS No.: 3544-47-6
• Molecular Formula: C7H8 Cl N O4 S2
• Molecular Weight: 269.73
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20361206
• Wikidata: Q82143421
• Mol file: 3544-47-6.mol

Synonyms:3544-47-6;2-chloro-5-(methylsulfonyl)benzenesulfonamide;2-chloro-5-methylsulfonylbenzenesulfonamide;2-chloro-5-methanesulfonylbenzene-1-sulfonamide;2-CHLORO-5-METHANESULFONYL-BENZENESULFONAMIDE;SCHEMBL11009995;DTXSID20361206;STK663496;AKOS003594170;AC-18633;2-chloro-5-methanesulfonylbenzenesulfonamide;5-Methanesulfonyl-2-chlorobenzenesulfonamide;CS-0264920;EN300-95350;2-Chloro-5-(methanesulfonyl)benzene-1-sulfonamide;A912788;Z353972988

Chemical Property of 2-Chloro-5-methylsulfonylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.62E-11mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 534.9°C at 760 mmHg
• Flash Point: 277.3°C
• PSA: 111.06000
• Density: 1.567g/cm³
• LogP: 3.25280
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.9583278
• Heavy Atom Count: 15
• Complexity: 419

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-(methylsulfonyl)benzenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Technology Process of 2-Chloro-5-methylsulfonylbenzenesulfonamide

There total 5 articles about 2-Chloro-5-methylsulfonylbenzenesulfonamide 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: 14.0%

4-chlorophenyl methyl sulfone (98-57-7) → 2-chloro-5-(methylsulfonyl)benzenesulfonamide (3544-47-6)

Guidance literature:

4-chlorophenyl methyl sulfone; With chlorosulfonic acid; at 100 ℃; for 1h;

With sulfuryl dichloride; for 2h; Reflux;

With ammonium hydroxide; In water; at 20 ℃; for 0.5h;

Reference yield: 5.1%

2-chloro-5-methanesulfonyl-benzenesulfonyl chloride (90084-62-1) → 2-chloro-5-(methylsulfonyl)benzenesulfonamide (3544-47-6)

Guidance literature:

With ammonium hydroxide; at 20 ℃;

Reference yield:

1-amino-2-chloro-5-methylsulfonylbenzene (16328-56-6) → 2-chloro-5-(methylsulfonyl)benzenesulfonamide (3544-47-6)

Guidance literature:

1-amino-2-chloro-5-methylsulfonylbenzene; With hydrogenchloride; sulfur dioxide; acetic acid; copper dichloride; sodium nitrite;

With ammonia;

DOI:10.1021/jm301743b

upstream raw materials:

2-chloro-5-methanesulfonyl-benzenesulfonyl chloride

4-chlorophenyl methyl sulfone

1-amino-2-chloro-5-methylsulfonylbenzene

Downstream raw materials:

2-amino-5-(methylsulfonyl)benzenesulfonamide

C₁₄H₁₂N₂O₄S₃

C₁₆H₁₆N₂O₄S₃

R/S-N-(2-amino-5-methylsulfonylbenzenesulfonyl)-N'-2-butylthiourea