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879015-61-9 | Benzenesulfonamide, N-(5,7-dibromo-8-quinolinyl)-4-fluoro-
CAS No: 879015-61-9 Catalog No: AG004E0C MDL No:
Product Description
Catalog Number:
AG004E0C
Chemical Name:
Benzenesulfonamide, N-(5,7-dibromo-8-quinolinyl)-4-fluoro-
CAS Number:
879015-61-9
Molecular Formula:
C15H9Br2FN2O2S
Molecular Weight:
460.1156
IUPAC Name:
N-(5,7-dibromoquinolin-8-yl)-4-fluorobenzenesulfonamide
InChI:
InChI=1S/C15H9Br2FN2O2S/c16-12-8-13(17)15(14-11(12)2-1-7-19-14)20-23(21,22)10-5-3-9(18)4-6-10/h1-8,20H
InChI Key:
PCKGFOMNGDJJRG-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=O)Nc1c(Br)cc(c2c1nccc2)Br
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.872g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.115g/mol
Monoisotopic Mass:
457.874g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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