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Home > Sulfanilamide > 736931-23-0
736931-23-0 | Benzenesulfonamide, 4-methyl-N-[3-oxo-2-(phenylmethylene)butyl]-
CAS No: 736931-23-0 Catalog No: AG005XYC MDL No:
Product Description
Catalog Number:
AG005XYC
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[3-oxo-2-(phenylmethylene)butyl]-
CAS Number:
736931-23-0
Molecular Formula:
C18H19NO3S
Molecular Weight:
329.4134
IUPAC Name:
N-(2-benzylidene-3-oxobutyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C18H19NO3S/c1-14-8-10-18(11-9-14)23(21,22)19-13-17(15(2)20)12-16-6-4-3-5-7-16/h3-12,19H,13H2,1-2H3
InChI Key:
UXMBVVQFCDEIAQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC(=Cc1ccccc1)C(=O)C
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.414g/mol
Monoisotopic Mass:
329.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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