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309927-64-8 | N-(2-Benzoyl-4,5-dimethoxy-phenyl)-4-methyl-benzenesulfonamide
CAS No: 309927-64-8 Catalog No: AG01F6BN MDL No:
Product Description
Catalog Number:
AG01F6BN
Chemical Name:
N-(2-Benzoyl-4,5-dimethoxy-phenyl)-4-methyl-benzenesulfonamide
CAS Number:
309927-64-8
Molecular Formula:
C22H21NO5S
Molecular Weight:
411.4708
IUPAC Name:
N-(2-benzoyl-4,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C22H21NO5S/c1-15-9-11-17(12-10-15)29(25,26)23-19-14-21(28-3)20(27-2)13-18(19)22(24)16-7-5-4-6-8-16/h4-14,23H,1-3H3
InChI Key:
FSSVEMKIAPRSTM-UHFFFAOYSA-N
SMILES:
COc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1OC)C(=O)c1ccccc1
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.472g/mol
Monoisotopic Mass:
411.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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