Ibutilide Impurity 10

CAT: 1299-RM-I022110-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I022110-04Size:100 mg

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CAS Number

149684-23-1

Synonyms

N, N'- (malonylbis (4,1-phenylene) ) dimethanesulfonamide

Molecular Formula

C17H18N2O6S2

Molecular Weight

410.46

Target Alternative Name

Ibutilide

Product Name Synonym

N, N'- (malonylbis (4,1-phenylene) ) dimethanesulfonamide

Chemical Information

N,N'-(malonylbis(4,1-phenylene))dimethanesulfonamide

CAS Number	149684-23-1
PubChem CID	177829128
IUPAC Name	N-[4-[3-[4-(methanesulfonamido)phenyl]-3-oxopropanoyl]phenyl]methanesulfonamide
Molecular Formula	C17H18N2O6S2
Molecular Weight	410.5
XLogP	1
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	671

SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H18N2O6S2/c1-26(22,23)18-14-7-3-12(4-8-14)16(20)11-17(21)13-5-9-15(10-6-13)19-27(2,24)25/h3-10,18-19H,11H2,1-2H3

InChIKey

GNTNYXMTXCHONT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149684-23-1

CID: 177829128

Formula: C17H18N2O6S2

MW: 410.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	410.5
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	410.06062865
Monoisotopic Mass	410.06062865
Topological Polar Surface Area	143 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	671
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