1869-24-5

Basic information

• Product Name: 2-(Trifluoromethyl)benzenesulfonamide
• Synonyms: 2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE;2-(TRIFLUOROMETHYL)BENZENESULPHONAMIDE;BUTTPARK 91\08-54;(2-Trifluoromethylphenyl)-methanesulfonamide;BenzenesulfonaMide, 2-(trifluoroMethyl)-;2-(Trifluoromethyl)benzenesulfomide
• CAS NO: 1869-24-5
• Molecular Formula: C₇H₆F₃NO₂S
• Molecular Weight: 225.19
• EINECS: -0
• Product Categories: API intermediates;Organic Building Blocks;Sulfonamides/Sulfinamides;Sulfur Compounds
• Mol File: 1869-24-5.mol
• Article Data: 7

Chemical Properties

• Melting Point: 180-184 °C(lit.)
• Boiling Point: 320.5 °C at 760 mmHg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.482 g/cm³
• Vapor Pressure: 0.000316mmHg at 25°C
• Refractive Index: 1.493
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 9.55±0.60(Predicted)
• BRN: 2697078
• CAS DataBase Reference: 2-(Trifluoromethyl)benzenesulfonamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(Trifluoromethyl)benzenesulfonamide(1869-24-5)
• EPA Substance Registry System: 2-(Trifluoromethyl)benzenesulfonamide(1869-24-5)

Safety Data

• Hazard Codes: Xi
• Statements: 22
• Safety Statements: 22-24/25-36
• RIDADR: 2811
• WGK Germany: 3
• HazardClass: IRRITANT
• PackingGroup: I
• Hazardous Substances Data: 1869-24-5(Hazardous Substances Data)

Usage

Chemical Properties

Pale yellow to off-white crystalline powder

InChI:InChI=1/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)

Upstream product

• 776-04-5 2-trifluoromethylbenzenesulfonyl chloride 
• 13333-97-6 o-trifluoromethylbenzenethiol 

Downstream Products

• 727-43-5 N-Aethoxymethylen-α,α,α-trifluor-o-toluolsulfonamid 
• 104667-64-3 N'-cyano-N-<(2-(trifluoromethyl)phenyl)sulfonyl>-S-methylisothiourea 
• 104667-73-4 N-(5-Amino-1H-[1,2,4]triazol-3-yl)-2-trifluoromethyl-benzenesulfonamide 
• 204378-14-3 N-[(2-Trifluoromethylphenyl)sulfonyl]-5-methoxy-2-pyridinecarboxamide 
• 1048660-71-4 2-bromo-N-[(2-trifluorophenyl)sulfonyl]acetamide 
• 1263313-47-8 N-[2-(2,2-dimethyl-propionyl)-phenyl]-2-trifluoromethyl-benzenesulfonamide 
• 1602577-52-5 5,7-dimethyl-N-(2-(trifluoromethyl)phenylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide 
• 1152875-12-1 2-(trifluoromethyl)benzenesulfonyl azide 

Relevant articles and documents

Inhibitory Evaluation and Molecular Docking Analysis of Benzenesulfonamides on Carbonic Anhydrase II

Abstract: Sulfonamides is an important class of compounds, which can be used as carbonic anhydrase inhibitors. Nine different benzenesulfonamide compounds were synthesized, and their inhibitory effects on carbonic anhydrase II were studied by esterase method and molecular docking. The results showed that compounds (IId)–(IIg) with nitro and acetamide groups on the benzene ring exhibited excellent carbonic anhydrase II inhibitory activities. Molecular docking showed that compared with the control inhibitor acetazolamide, the compounds (IId)–(IIg) docked at the carbonic anhydrase II active site and showed higher binding energy and stronger binding ability. The physical and chemical properties of all compounds were studied by Molinspiration, which showed outstanding drug-like properties and ADME properties. Cytotoxicity assay results showed that compounds (IIe) and (IIf) were almost non-toxic to HepG2 and RAW264.7 cells. In conclusion, the compounds (IIe) and (IIf) have a certain application prospect as new inhibitors of carbonic anhydrase II.

Highly Chemoselective NH- and O-Transfer to Thiols Using Hypervalent Iodine Reagents: Synthesis of Sulfonimidates and Sulfonamides

Aryl thiols can be selectively converted to sulfonimidates or sulfonamides with three new S-X connections being made selectively in one pot. Using hypervalent iodine reagents in the presence of ammonium carbamate, NH- and O-groups are transferred under mild and practical conditions. Reducing the loading of ammonium carbamate changed the product distribution, converting the sulfonimidate to the sulfonamide. Studies into the possible intermediate species are presented, suggesting that multiple pathways may be possible via sulfinate esters, or related intermediates, with each species forming the same products.

2,3 SUBSTITUTED PYRAZINE SULFONAMIDES

The present invention is related to the use of 2,3 substituted pyrazine sulfonamides of formula (I) for the treatment and/or prevention of allergic diseases, inflammatory dermatoses and other diseases with an inflammatory component. Specifically, the pres