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340696-16-4 | N-[2-(Hydroxy-phenylmethyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS No: 340696-16-4 Catalog No: AG01F2D4 MDL No:
Product Description
Catalog Number:
AG01F2D4
Chemical Name:
N-[2-(Hydroxy-phenylmethyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS Number:
340696-16-4
Molecular Formula:
C22H23NO5S
Molecular Weight:
413.4867
IUPAC Name:
N-[2-[hydroxy(phenyl)methyl]-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C22H23NO5S/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/h4-14,22-24H,1-3H3
InChI Key:
ALRIISLBGAVYMO-UHFFFAOYSA-N
SMILES:
COc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1OC)C(c1ccccc1)O
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.13g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
413.488g/mol
Monoisotopic Mass:
413.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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