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Home Sulfos 4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

CAS No.:
312-51-6
Catalog Number:
AG00BIG9
Molecular Formula:
C13H9F3N2O4S
Molecular Weight:
346.2818
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00BIG9
Chemical Name:
4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CAS Number:
312-51-6
Molecular Formula:
C13H9F3N2O4S
Molecular Weight:
346.2818
MDL Number:
MFCD00557265
IUPAC Name:
4-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C13H9F3N2O4S/c14-13(15,16)9-1-3-10(4-2-9)17-23(21,22)12-7-5-11(6-8-12)18(19)20/h1-8,17H
InChI Key:
JIHBEEHTSKTWES-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Properties
Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.024g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
346.28g/mol
Monoisotopic Mass:
346.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Design and synthesis of benzenesulfonanilides active against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus. Bioorganic & medicinal chemistry 20080601
Analgesic agents without gastric damage: design and synthesis of structurally simple benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors. Bioorganic & medicinal chemistry 20070115
Antifungal activities of N-arylbenzenesulfonamides against phytopathogens and control efficacy on wheat leaf rust and cabbage club root diseases. Bioscience, biotechnology, and biochemistry 20021201
Properties