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833455-49-5

833455-49-5 | Methanesulfonamide, N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]-

CAS No: 833455-49-5 Catalog No: AG004SRM MDL No:

Product Description

Catalog Number:
AG004SRM
Chemical Name:
Methanesulfonamide, N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]-
CAS Number:
833455-49-5
Molecular Formula:
C12H10Cl2N2O3S
Molecular Weight:
333.1904
IUPAC Name:
N-[3-(2,4-dichlorophenoxy)pyridin-4-yl]methanesulfonamide
InChI:
InChI=1S/C12H10Cl2N2O3S/c1-20(17,18)16-10-4-5-15-7-12(10)19-11-3-2-8(13)6-9(11)14/h2-7H,1H3,(H,15,16)
InChI Key:
YALPORKUDWSYAM-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Oc1cnccc1NS(=O)(=O)C

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.979g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.183g/mol
Monoisotopic Mass:
331.979g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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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