Dofetilide Impurity 4

CAT: 1596-AR-D02104-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D02104-02Size:25 Units

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CAS Number

115256-15-0

Synonyms

N- (4- (2- (methylamino) ethoxy) phenyl) methanesulfonamide

Molecular Formula

C10H16N2O3S

Molecular Weight

244.31

API Name

Dofetilide

Chemical Information

N-(4-(2-(Methylamino)ethoxy)phenyl)methanesulfonamide

CAS Number	115256-15-0
PubChem CID	10421927
IUPAC Name	N-[4-[2-(methylamino)ethoxy]phenyl]methanesulfonamide
Molecular Formula	C10H16N2O3S
Molecular Weight	244.31
XLogP	0.8
Topological Polar Surface Area	75.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	279

SMILES

CNCCOC1=CC=C(C=C1)NS(=O)(=O)C

InChI

InChI=1S/C10H16N2O3S/c1-11-7-8-15-10-5-3-9(4-6-10)12-16(2,13)14/h3-6,11-12H,7-8H2,1-2H3

InChIKey

KDKRTSUCCBQUGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115256-15-0

CID: 10421927

Formula: C10H16N2O3S

MW: 244.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.31
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	244.08816355
Monoisotopic Mass	244.08816355
Topological Polar Surface Area	75.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-D150608-01	Dofetilide Impurity 8
RM-D150606-01	Dofetilide Impurity 6
RM-D150603-01	Dofetilide Impurity 3
RM-D150609-01	Dofetilide Impurity 9
RM-D150605-01	Dofetilide Impurity 5
RM-D150604-01	Dofetilide Impurity 4
RM-D150601-01	Dofetilide Impurity 1
RM-D150607-01	Dofetilide Impurity 7
RM-D150602-01	Dofetilide Impurity 2
CS-O-55038	N-Nitroso Dofetilide Impurity 3