N-[3,5-Bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide

Modify Date: 2025-09-15 10:15:34

N-[3,5-Bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide Structure
N-[3,5-Bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide structure
Common Name N-[3,5-Bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
CAS Number 587-57-5 Molecular Weight 414.28000
Density 1.609g/cm3 Boiling Point 424.2ºC at 760 mmHg
Molecular Formula C14H8F6N2O4S Melting Point N/A
MSDS N/A Flash Point 210.3ºC

 Names

Name N-[3,5-Bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.609g/cm3
Boiling Point 424.2ºC at 760 mmHg
Molecular Formula C14H8F6N2O4S
Molecular Weight 414.28000
Flash Point 210.3ºC
Exact Mass 414.01100
PSA 100.37000
LogP 6.11020
Index of Refraction 1.533
InChIKey RLKYXKSPNGXWJV-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

 Safety Information

HS Code 2935009090

 Synthetic Route

~78%

N-[3,5-Bis(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide Structure

N-[3,5-Bis(trif...

CAS#:587-57-5

Literature: Zheng, Xiaoxia; Oda, Hiroyuki; Takamatsu, Kayo; Sugimoto, Yukio; Tai, Akihiro; Akaho, Eiichi; Ali, Hamed Ismail; Oshiki, Toshiyuki; Kakuta, Hiroki; Sasaki, Kenji Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 2 p. 1014 - 1021 Title/Abstract Full Text View citing articles Show Details Namba, Kensuke; Zheng, Xiaoxia; Motoshima, Kazunori; Kobayashi, Hidetomo; Tai, Akihiro; Takahashi, Eizo; Sasaki, Kenji; Okamoto, Keinosuke; Kakuta, Hiroki Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 11 p. 6131 - 6144

 Customs

HS Code 2935009090
Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

 Bioassay

View more

Name: Antimicrobial activity against methicillin-resistant Staphylococcus aureus at 200 umo...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL961469
Name: Antimicrobial activity against methicillin-resistant Staphylococcus aureus OM584 by m...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL961470
Name: Inhibition of ovine COX1 at 100 uM
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL914988
Name: Inhibition of ovine COX2 at 100 uM
Source: ChEMBL
Target: Prostaglandin G/H synthase 2
External Id: CHEMBL914989
Name: Antimicrobial activity against vancomycin-resistant Enterococcus faecium FN-1 by micr...
Source: ChEMBL
Target: Enterococcus faecium
External Id: CHEMBL961471
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 Synonyms

4-Nitro-benzolsulfonsaeure-(3,5-bis-trifluormethyl-anilid)
N-(3,5-bis-trifluoromethyl-phenyl)-4-nitro-benzenesulfonamide
4-nitro-benzenesulfonic acid-(3,5-bis-trifluoromethyl-anilide)
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