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77199-00-9

77199-00-9 | N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide

CAS No: 77199-00-9 Catalog No: AG00IX5Q MDL No:MFCD00169897

Product Description

Catalog Number:
AG00IX5Q
Chemical Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CAS Number:
77199-00-9
Molecular Formula:
C16H19NO4S
Molecular Weight:
321.3914
MDL Number:
MFCD00169897
IUPAC Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C16H19NO4S/c1-20-15-9-8-13(12-16(15)21-2)10-11-17-22(18,19)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChI Key:
SIKXOAQIYJWILF-UHFFFAOYSA-N
SMILES:
COc1cc(CCNS(=O)(=O)c2ccccc2)ccc1OC

Properties

Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.103g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.391g/mol
Monoisotopic Mass:
321.103g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
Design, synthesis and antimalarial activity of benzene and isoquinoline sulfonamide derivatives. Bioorganic & medicinal chemistry letters 20080115
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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