CID 47234490
PubChem CID
47234490
Structure
Molecular Formula
Status
Non-live
Molecular Weight
268.33 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-methyl-N-[3-(methylsulfamoyl)phenyl]but-2-enamide
InChI=1S/C12H16N2O3S/c1-9(2)7-12(15)14-10-5-4-6-11(8-10)18(16,17)13-3/h4-8,13H,1-3H3,(H,14,15)
CBWNGIZCNOQYTD-UHFFFAOYSA-N
CC(=CC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC)C
C12H16N2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
268.33 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
4
Property Name
Exact Mass
Property Value
268.08816355 g/mol
Property Name
Monoisotopic Mass
Property Value
268.08816355 g/mol
Property Name
Topological Polar Surface Area
Property Value
83.7 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
419
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
Old substance
Old substance
Old substance
CONTENTS