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827308-32-7

827308-32-7 | Benzenesulfonamide, N-[cyano(2,3-dimethoxyphenyl)methyl]-4-methyl-

CAS No: 827308-32-7 Catalog No: AG005027 MDL No:

Product Description

Catalog Number:
AG005027
Chemical Name:
Benzenesulfonamide, N-[cyano(2,3-dimethoxyphenyl)methyl]-4-methyl-
CAS Number:
827308-32-7
Molecular Formula:
C17H18N2O4S
Molecular Weight:
346.4008
IUPAC Name:
N-[cyano-(2,3-dimethoxyphenyl)methyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C17H18N2O4S/c1-12-7-9-13(10-8-12)24(20,21)19-15(11-18)14-5-4-6-16(22-2)17(14)23-3/h4-10,15,19H,1-3H3
InChI Key:
DZYJGHGZWXWWHH-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1OC)OC)NS(=O)(=O)c1ccc(cc1)C

Properties

Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.099g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
346.401g/mol
Monoisotopic Mass:
346.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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