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89815-75-8 | Benzenesulfonamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-
CAS No: 89815-75-8 Catalog No: AG003XVM MDL No:
Product Description
Catalog Number:
AG003XVM
Chemical Name:
Benzenesulfonamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-
CAS Number:
89815-75-8
Molecular Formula:
C16H17NO5S
Molecular Weight:
335.3749
IUPAC Name:
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxybenzenesulfonamide
InChI:
InChI=1S/C16H17NO5S/c1-20-13-3-5-14(6-4-13)23(18,19)17-9-8-12-2-7-15-16(10-12)22-11-21-15/h2-7,10,17H,8-9,11H2,1H3
InChI Key:
PLLPOLVVYSHNEZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NCCc1ccc2c(c1)OCO2
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.374g/mol
Monoisotopic Mass:
335.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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