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89820-17-7 | N-[1-(3,4-DIMETHOXYPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS No: 89820-17-7 Catalog No: AG003XUL MDL No:
Product Description
Catalog Number:
AG003XUL
Chemical Name:
N-[1-(3,4-DIMETHOXYPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS Number:
89820-17-7
Molecular Formula:
C19H23NO5S
Molecular Weight:
377.4546
IUPAC Name:
N-[1-(3,4-dimethoxyphenyl)ethyl]-N-(oxiran-2-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C19H23NO5S/c1-14(15-9-10-18(23-2)19(11-15)24-3)20(12-16-13-25-16)26(21,22)17-7-5-4-6-8-17/h4-11,14,16H,12-13H2,1-3H3
InChI Key:
RSYQPVDXXCLZJO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(N(S(=O)(=O)c1ccccc1)CC1CO1)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:
377.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.455g/mol
Monoisotopic Mass:
377.13g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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