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189313-10-8 | Benzenesulfonamide, N-(2-cyano-3-oxo-1,3-diphenyl-1-propen-1-yl)-
CAS No: 189313-10-8 Catalog No: AG002I8X MDL No:
Product Description
Catalog Number:
AG002I8X
Chemical Name:
Benzenesulfonamide, N-(2-cyano-3-oxo-1,3-diphenyl-1-propen-1-yl)-
CAS Number:
189313-10-8
Molecular Formula:
C22H16N2O3S
Molecular Weight:
388.4390
IUPAC Name:
N-(2-cyano-3-oxo-1,3-diphenylprop-1-enyl)benzenesulfonamide
InChI:
InChI=1S/C22H16N2O3S/c23-16-20(22(25)18-12-6-2-7-13-18)21(17-10-4-1-5-11-17)24-28(26,27)19-14-8-3-9-15-19/h1-15,24H
InChI Key:
CPGBLAQKRMIROQ-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.088g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.441g/mol
Monoisotopic Mass:
388.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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