4-Methylsulfonylbenzenesulfonamide

Base Information

• Chemical Name: 4-Methylsulfonylbenzenesulfonamide
• CAS No.: 667-24-3
• Molecular Formula: C7H9NO4S2
• Molecular Weight: 235.285
• DSSTox Substance ID: DTXSID00985267
• Nikkaji Number: J49.125J
• Wikidata: Q82972763
• ChEMBL ID: CHEMBL4944907
• Mol file: 667-24-3.mol

Synonyms:4-methylsulfonylbenzenesulfonamide;667-24-3;4-methanesulfonylbenzene-1-sulfonamide;4-(methylsulfonyl)benzenesulfonamide;BRN 2696482;p-(Methylsulfonyl)benzenesulfonamide;Benzenesulfonamide, p-(methylsulfonyl)-;SCHEMBL6096079;CHEMBL4944907;DTXSID00985267;OXLLOGLZHQOVJQ-UHFFFAOYSA-N;4-methylsulphonylbenzenesulphonamide;AKOS009147554;4-(Methanesulfonyl)benzene-1-sulfonamide;EN300-79083;AB01005711-01;Z279742778

Chemical Property of 4-Methylsulfonylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.43E-09mmHg at 25°C
• Melting Point: 244 °C (H2O)
• Boiling Point: 485.3°Cat760mmHg
• Flash Point: 247.3°C
• PSA: 111.06000
• Density: 1.469g/cm³
• LogP: 2.59940
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 234.99730012
• Heavy Atom Count: 14
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

4-Methylsulfonylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Methylsulfonylbenzenesulfonamide

There total 3 articles about 4-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: 92.0%

N-isopropyl-4-methanesulfonyl-benzenesulfonamide → 4-(methylsulfonyl)benzenesulfonamide (667-24-3)

Guidance literature:

With chromium(III) acetate hydroxide; periodic acid; In acetonitrile; at 20 ℃; for 18h;

DOI:10.1055/s-2004-830851

Reference yield:

4-methylsulfinylbenzenesulfonyl chloride (82964-91-8) → 4-(methylsulfonyl)benzenesulfonamide (667-24-3)

Guidance literature:

With ammonium hydroxide; In methanol; water; at 0 - 20 ℃; for 3h;

Reference yield:

→ 4-(methylsulfonyl)benzenesulfonamide (667-24-3)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1039/jr9480000601

upstream raw materials:

4-methylsulfinylbenzenesulfonyl chloride

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