An official website of the United States government

CID 37528039

PubChem CID
37528039
Structure
CID 37528039_small.png
Molecular Formula
Status
Non-live
Molecular Weight
301.41 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 37528039.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(3,3-dimethylbutylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide

2.1.2 InChI

InChI=1S/C13H23N3O3S/c1-13(2,3)6-7-15-20(18,19)10-8-11(12(17)14-4)16(5)9-10/h8-9,15H,6-7H2,1-5H3,(H,14,17)

2.1.3 InChIKey

CIQBBLCXKCRVMC-UHFFFAOYSA-N

2.1.4 SMILES

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

2.2 Molecular Formula

C13H23N3O3S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
301.41 g/mol
Property Name
XLogP3-AA
Property Value
1.3
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
6
Property Name
Exact Mass
Property Value
301.14601278 g/mol
Property Name
Monoisotopic Mass
Property Value
301.14601278 g/mol
Property Name
Topological Polar Surface Area
Property Value
88.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
437
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