Ibutilide Impurity 11

CAT: 1299-RM-I022111-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I022111-01Size:10 mg

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CAS Number

1197-22-4

Synonyms

N-phenylmethanesulfonamide

Molecular Formula

C7H9NO2S

Molecular Weight

171.21

Target Alternative Name

Ibutilide

Product Name Synonym

N-phenylmethanesulfonamide

Chemical Information

Methanesulfonamide, N-phenyl-

CAS Number	1197-22-4
PubChem CID	70970
IUPAC Name	N-phenylmethanesulfonamide
Molecular Formula	C7H9NO2S
Molecular Weight	171.22
XLogP	0.9
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	199

SMILES

CS(=O)(=O)NC1=CC=CC=C1

InChI

InChI=1S/C7H9NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h2-6,8H,1H3

InChIKey

LBTPIFQNEKOAIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1197-22-4

CID: 70970

Formula: C7H9NO2S

MW: 171.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.22
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	171.03539970
Monoisotopic Mass	171.03539970
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	199
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