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339018-71-2

339018-71-2 | (E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethene-1-sulfonamide

CAS No: 339018-71-2 Catalog No: AG00IQL9 MDL No:MFCD01443779

Product Description

Catalog Number:
AG00IQL9
Chemical Name:
(E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethene-1-sulfonamide
CAS Number:
339018-71-2
Molecular Formula:
C17H17NO5S
Molecular Weight:
347.3856
MDL Number:
MFCD01443779
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)ethenesulfonamide
InChI:
InChI=1S/C17H17NO5S/c1-21-15-5-2-13(3-6-15)8-9-24(19,20)18-11-14-4-7-16-17(10-14)23-12-22-16/h2-10,18H,11-12H2,1H3
InChI Key:
CUMCHZYDQXOPFT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/S(=O)(=O)NCc1ccc2c(c1)OCO2

Properties

Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.083g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
347.385g/mol
Monoisotopic Mass:
347.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  

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