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CID 17070820

PubChem CID
17070820
Structure
CID 17070820_small.png
Molecular Formula
Status
Non-live
Molecular Weight
282.36 g/mol
Dates
  • Create:
    2007-11-13

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 17070820.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(ethylsulfamoyl)phenyl]cyclobutanecarboxamide

2.1.2 InChI

InChI=1S/C13H18N2O3S/c1-2-14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-3-5-10/h6-10,14H,2-5H2,1H3,(H,15,16)

2.1.3 InChIKey

ILUUKEFHERYJEV-UHFFFAOYSA-N

2.1.4 SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCC2

2.2 Molecular Formula

C13H18N2O3S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
282.36 g/mol
Property Name
XLogP3-AA
Property Value
1.4
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
282.10381361 g/mol
Property Name
Monoisotopic Mass
Property Value
282.10381361 g/mol
Property Name
Topological Polar Surface Area
Property Value
83.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
404
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