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CID 47439911

PubChem CID
47439911
Structure
CID 47439911_small.png
Molecular Formula
Status
Non-live
Molecular Weight
294.37 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47439911.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(cyclohex-3-en-1-ylmethylsulfamoyl)benzamide

2.1.2 InChI

InChI=1S/C14H18N2O3S/c15-14(17)12-6-8-13(9-7-12)20(18,19)16-10-11-4-2-1-3-5-11/h1-2,6-9,11,16H,3-5,10H2,(H2,15,17)

2.1.3 InChIKey

TVGWMWUAHMAYFF-UHFFFAOYSA-N

2.1.4 SMILES

C1CC(CC=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N

2.2 Molecular Formula

C14H18N2O3S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
294.37 g/mol
Property Name
XLogP3-AA
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
294.10381361 g/mol
Property Name
Monoisotopic Mass
Property Value
294.10381361 g/mol
Property Name
Topological Polar Surface Area
Property Value
97.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
459
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
1
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