An official website of the United States government

CID 47206354

PubChem CID
47206354
Structure
CID 47206354_small.png
Molecular Formula
Status
Non-live
Molecular Weight
293.39 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47206354.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C14H19N3O2S/c15-12-13-4-6-14(7-5-13)20(18,19)16-8-11-17-9-2-1-3-10-17/h4-7,16H,1-3,8-11H2

2.1.3 InChIKey

VGASTUXCARROAA-UHFFFAOYSA-N

2.1.4 SMILES

C1CCN(CC1)CCNS(=O)(=O)C2=CC=C(C=C2)C#N

2.2 Molecular Formula

C14H19N3O2S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
293.39 g/mol
Property Name
XLogP3-AA
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
293.11979803 g/mol
Property Name
Monoisotopic Mass
Property Value
293.11979803 g/mol
Property Name
Topological Polar Surface Area
Property Value
81.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
435
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS