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90867-72-4 | Benzenesulfonamide, N-(3-oxo-1,2,3-triphenylpropyl)-
CAS No: 90867-72-4 Catalog No: AG006H6W MDL No:
Product Description
Catalog Number:
AG006H6W
Chemical Name:
Benzenesulfonamide, N-(3-oxo-1,2,3-triphenylpropyl)-
CAS Number:
90867-72-4
Molecular Formula:
C27H23NO3S
Molecular Weight:
441.5414
IUPAC Name:
N-(3-oxo-1,2,3-triphenylpropyl)benzenesulfonamide
InChI:
InChI=1S/C27H23NO3S/c29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-32(30,31)24-19-11-4-12-20-24/h1-20,25-26,28H
InChI Key:
ISMXHIKURQXDSE-UHFFFAOYSA-N
SMILES:
O=C(C(C(c1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.14g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.545g/mol
Monoisotopic Mass:
441.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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