Dofetilide Impurity 4

CAT: 1299-RM-D150604-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-D150604-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

144449-71-8

Synonyms

N-methyl-N- (4- (methylsulfonamido) phenethyl) -2- (4- (methylsulfonamido) phenoxy) ethanamine oxide

Molecular Formula

C19H27N3O6S2

Molecular Weight

457.56

Target Alternative Name

Dofetilide

Product Name Synonym

N-methyl-N- (4- (methylsulfonamido) phenethyl) -2- (4- (methylsulfonamido) phenoxy) ethanamine oxide

Chemical Information

N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-[4-(methanesulfonamido)phenyl]-N-methylethanamine-N-oxide

CAS Number	144449-71-8
PubChem CID	101631562
IUPAC Name	N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-[4-(methanesulfonamido)phenyl]-N-methylethanamine oxide
Molecular Formula	C19H27N3O6S2
Molecular Weight	457.6
XLogP	1.3
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	30
Formal Charge	0
Complexity	718

SMILES

C[N+](CCC1=CC=C(C=C1)NS(=O)(=O)C)(CCOC2=CC=C(C=C2)NS(=O)(=O)C)[O-]

InChI

InChI=1S/C19H27N3O6S2/c1-22(23,13-12-16-4-6-17(7-5-16)20-29(2,24)25)14-15-28-19-10-8-18(9-11-19)21-30(3,26)27/h4-11,20-21H,12-15H2,1-3H3

InChIKey

AYRPGSAYHYJPGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 144449-71-8

CID: 101631562

Formula: C19H27N3O6S2

MW: 457.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	457.6
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	457.13412794
Monoisotopic Mass	457.13412794
Topological Polar Surface Area	136 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	718
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes