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478080-65-8 | (E)-2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethene-1-sulfonamide
CAS No: 478080-65-8 Catalog No: AG00IYYI MDL No:MFCD01815151
Product Description
Catalog Number:
AG00IYYI
Chemical Name:
(E)-2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethene-1-sulfonamide
CAS Number:
478080-65-8
Molecular Formula:
C18H21NO5S
Molecular Weight:
363.4280
MDL Number:
MFCD01815151
IUPAC Name:
2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
InChI:
InChI=1S/C18H21NO5S/c1-22-16-6-4-5-15(11-16)13-19-25(20,21)10-9-14-7-8-17(23-2)18(12-14)24-3/h4-12,19H,13H2,1-3H3
InChI Key:
NXCBDMQTKVUBQM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CNS(=O)(=O)/C=C/c1ccc(c(c1)OC)OC
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.428g/mol
Monoisotopic Mass:
363.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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