Home Amines 339-42-4
339-42-4,MFCD01935804
Catalog No.:AA00CAOK

339-42-4 | 4-Amino-n-[4-(trifluoromethyl)phenyl]benzenesulfonamide

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100mg
98%
in stock  
$112.00   $78.00
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250mg
98%
in stock  
$203.00   $142.00
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1g
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$436.00   $305.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CAOK
Chemical Name:
4-Amino-n-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CAS Number:
339-42-4
Molecular Formula:
C13H11F3N2O2S
Molecular Weight:
316.2988
MDL Number:
MFCD01935804
SMILES:
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Properties
Properties
 
BP:
440.2±55.0 °C(Predicted)  
Form:
Solid  
MP:
178.55-179 °C  

Computed Properties
 
Complexity:
431  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Zheng,Xiaoxia;Oda,Hiroyuki;Takamatsu,Kayo;Sugimoto,Yukio;Tai,Akihiro;Akaho,Eiichi;Ali,HamedIsmail;Oshiki,Toshiyuki;Kakuta,Hiroki;Sasaki,Kenji[BioorganicandMedicinalChemistry,2007,vol.15,#2,p.1014-1021]

[2]Šimková,Ludmila;Císařová,Ivana;Cuřínová,Petra;Ludvík,Jiří;Sýkora,Jan;Salvadori,Karolína[ChemPlusChem,2020,vol.85,#7,p.1401-1411]

[3]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD-WO2008/55233,2008,A1Locationinpatent:Page/Pagecolumn37;71

[4]Zhang,Guangtao;Plotnikov,AlexanderN.;Rusinova,Elena;Shen,Tong;Morohashi,Keita;Joshua,Jennifer;Zeng,Lei;Mujtaba,Shiraz;Ohlmeyer,Michael;Zhou,Ming-Ming[JournalofMedicinalChemistry,2013,vol.56,#22,p.9251-9264]

136549-13-8    339-42-4   
4-((2,5-dimethylpyrazolo1,5-apyrimidin-7-yl)amino)-N-(4-(trifluoromethyl)phenyl)benzenesulfonamidehydrochloride 

[1]Silveira,FláviaF.;deSouza,JulianaO.;Hoelz,LucasV.B.;Campos,ViníciusR.;Jabor,ValquíriaA.P.;Aguiar,AnnaC.C.;Nonato,M.Cristina;Albuquerque,MagalyG.;Guido,RafaelV.C.;Boechat,Nubia;Pinheiro,LuizC.S.[EuropeanJournalofMedicinalChemistry,2021,vol.209]

Literature

Title: Design and synthesis of benzenesulfonanilides active against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus.

Journal: Bioorganic & medicinal chemistry 20080601

Title: Analgesic agents without gastric damage: design and synthesis of structurally simple benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors.

Journal: Bioorganic & medicinal chemistry 20070115

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SDS
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