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181696-33-3

181696-33-3 | Benzenesulfonamide, 4-[5-(difluoromethyl)-3-phenyl-4-isoxazolyl]-

CAS No: 181696-33-3 Catalog No: AG002318 MDL No:

Product Description

Catalog Number:
AG002318
Chemical Name:
Benzenesulfonamide, 4-[5-(difluoromethyl)-3-phenyl-4-isoxazolyl]-
CAS Number:
181696-33-3
Molecular Formula:
C16H12F2N2O3S
Molecular Weight:
350.3399
IUPAC Name:
4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
InChI:
InChI=1S/C16H12F2N2O3S/c17-16(18)15-13(10-6-8-12(9-7-10)24(19,21)22)14(20-23-15)11-4-2-1-3-5-11/h1-9,16H,(H2,19,21,22)
InChI Key:
DVSOGWILWKEIDD-UHFFFAOYSA-N
SMILES:
FC(c1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1)F

Properties

Complexity:
512  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.054g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.34g/mol
Monoisotopic Mass:
350.054g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

Title Journal
Ultraviolet C irradiation induces different expression of cyclooxygenase 2 in NIH 3T3 cells and A431 cells: the roles of COX-2 are different in various cell lines. International journal of molecular sciences 20120101
Inhibition of ion channels and heart beat in Drosophila by selective COX-2 inhibitor SC-791. PloS one 20120101
Mechanism of K(v)2.1 channel inhibition by a selective COX-2 inhibitor SC-791-modification of gating. Brain research 20101104
Cholesterol-3-beta, 5-alpha, 6-beta-triol induced PI(3)K-Akt-eNOS-dependent cyclooxygenase-2 expression in endothelial cells. Toxicology letters 20091028

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