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312-51-6,MFCD00557265
Catalog No.:AA00BIDH

312-51-6 | 4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$250.00   $175.00
- +
1g
98%
in stock  
$520.00 $364.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BIDH
Chemical Name:
4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CAS Number:
312-51-6
Molecular Formula:
C13H9F3N2O4S
Molecular Weight:
346.2818
MDL Number:
MFCD00557265
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
511  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

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]Kang,JaeGon;Hur,JongHyun;Choi,SungJun;Choi,GyungJa;Cho,KwangYun;Ten,LeonidN;Park,KiHun;Kang,KyuYoung[Bioscience,BiotechnologyandBiochemistry,2002,vol.66,#12,p.2677-2682]

[5]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]

[6]He,Ying;Yang,Zhenyu;Thornbury,RichardT.;Toste,F.Dean[JournaloftheAmericanChemicalSociety,2015,vol.137,#38,p.12207-12210]

[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]

[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]

312-51-6   
4-amino-<i>N</i>-methyl-<i>N</i>-(4-trifluoromethyl-phenyl)-benzenesulfonamide 

[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]

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

Title: Antifungal activities of N-arylbenzenesulfonamides against phytopathogens and control efficacy on wheat leaf rust and cabbage club root diseases.

Journal: Bioscience, biotechnology, and biochemistry 20021201

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Tags:312-51-6 Molecular Formula|312-51-6 MDL|312-51-6 SMILES|312-51-6 4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
Catalog No.: AA00BIDH
312-51-6,MFCD00557265
312-51-6 | 4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
Pack Size： 250mg
Purity： 98%
in stock
$250.00 $175.00
Pack Size： 1g
Purity： 98%
in stock
$520.00 $364.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BIDH
Chemical Name: 4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CAS Number: 312-51-6
Molecular Formula: C13H9F3N2O4S
Molecular Weight: 346.2818
MDL Number: MFCD00557265
SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Properties
Complexity: 511  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Downstream Synthesis Route
455-14-1    98-74-8    312-51-6 

[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]Kang,JaeGon;Hur,JongHyun;Choi,SungJun;Choi,GyungJa;Cho,KwangYun;Ten,LeonidN;Park,KiHun;Kang,KyuYoung[Bioscience,BiotechnologyandBiochemistry,2002,vol.66,#12,p.2677-2682]

[5]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]

[6]He,Ying;Yang,Zhenyu;Thornbury,RichardT.;Toste,F.Dean[JournaloftheAmericanChemicalSociety,2015,vol.137,#38,p.12207-12210]

312-51-6    339-42-4 

[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]

312-51-6    74-88-4    925459-59-2 

[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]

312-51-6   
4-amino-<i>N</i>-methyl-<i>N</i>-(4-trifluoromethyl-phenyl)-benzenesulfonamide 

[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]

Literature fold

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

Journal: Bioorganic & medicinal chemistry20080601

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

Journal: Bioorganic & medicinal chemistry20070115

Title: Antifungal activities of N-arylbenzenesulfonamides against phytopathogens and control efficacy on wheat leaf rust and cabbage club root diseases.

Journal: Bioscience, biotechnology, and biochemistry20021201

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