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16539-99-4 | Benzenesulfonamide, 4-[2-(5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-
CAS No: 16539-99-4 Catalog No: AG001W57 MDL No:
Product Description
Catalog Number:
AG001W57
Chemical Name:
Benzenesulfonamide, 4-[2-(5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-
CAS Number:
16539-99-4
Molecular Formula:
C13H11N5O4S
Molecular Weight:
333.3225
IUPAC Name:
4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonamide
InChI:
InChI=1S/C13H11N5O4S/c1-7-10(6-14)12(19)16-13(20)11(7)18-17-8-2-4-9(5-3-8)23(15,21)22/h2-5H,1H3,(H2,15,21,22)(H2,16,19,20)
InChI Key:
WVIPTGNFFZTKHS-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)[nH]c(=O)c(c1C)N=Nc1ccc(cc1)S(=O)(=O)N
EC Number:
240-608-5
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.322g/mol
Monoisotopic Mass:
333.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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