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833455-51-9

833455-51-9 | Methanesulfonamide, N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoro-

CAS No: 833455-51-9 Catalog No: AG0055SB MDL No:

Product Description

Catalog Number:
AG0055SB
Chemical Name:
Methanesulfonamide, N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoro-
CAS Number:
833455-51-9
Molecular Formula:
C12H8ClF3N2O3S
Molecular Weight:
352.7167
IUPAC Name:
N-[3-(2-chlorophenoxy)pyridin-4-yl]-1,1,1-trifluoromethanesulfonamide
InChI:
InChI=1S/C12H8ClF3N2O3S/c13-8-3-1-2-4-10(8)21-11-7-17-6-5-9(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)
InChI Key:
SWQGCPSWRKAIFP-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Oc1cnccc1NS(=O)(=O)C(F)(F)F

Properties

Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.99g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.712g/mol
Monoisotopic Mass:
351.99g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Design, synthesis, and pharmacological evaluation of pyridinic analogues of nimesulide as cyclooxygenase-2 selective inhibitors. Journal of medicinal chemistry 20041230

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