CID 47439915
PubChem CID
47439915
Structure
Molecular Formula
Status
Non-live
Molecular Weight
276.36 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-cyano-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
InChI=1S/C14H16N2O2S/c15-10-13-7-4-8-14(9-13)19(17,18)16-11-12-5-2-1-3-6-12/h1-2,4,7-9,12,16H,3,5-6,11H2
AJCBDAGAPXSPJZ-UHFFFAOYSA-N
C1CC(CC=C1)CNS(=O)(=O)C2=CC=CC(=C2)C#N
C14H16N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.36 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
276.09324893 g/mol
Property Name
Monoisotopic Mass
Property Value
276.09324893 g/mol
Property Name
Topological Polar Surface Area
Property Value
78.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
469
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
Old substance
Old substance
CONTENTS