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1884640-99-6 | 4-Cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)benzenesulfonamide
CAS No: 1884640-99-6 Catalog No: AG01ENL2 MDL No:
Product Description
Catalog Number:
AG01ENL2
Chemical Name:
4-Cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)benzenesulfonamide
CAS Number:
1884640-99-6
Molecular Formula:
C18H15N3O3S
Molecular Weight:
353.3950
IUPAC Name:
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
InChI:
InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
InChI Key:
BMVCSXFOQPYKKC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.083g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.396g/mol
Monoisotopic Mass:
353.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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