CID 47439897
PubChem CID
47439897
Structure
Molecular Formula
Status
Non-live
Molecular Weight
310.8 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
4-chloro-3-cyano-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
InChI=1S/C14H15ClN2O2S/c15-14-7-6-13(8-12(14)9-16)20(18,19)17-10-11-4-2-1-3-5-11/h1-2,6-8,11,17H,3-5,10H2
XUFBIULMUHRCFM-UHFFFAOYSA-N
C1CC(CC=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)C#N
C14H15ClN2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
310.8 g/mol
Property Name
XLogP3-AA
Property Value
3
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
310.0542766 g/mol
Property Name
Monoisotopic Mass
Property Value
310.0542766 g/mol
Property Name
Topological Polar Surface Area
Property Value
78.3 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
503
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
CONTENTS