CID 47439894
PubChem CID
47439894
Structure
Molecular Formula
Status
Non-live
Molecular Weight
303.78 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-fluorobenzenesulfonamide
InChI=1S/C13H15ClFNO2S/c14-11-7-4-8-12(13(11)15)19(17,18)16-9-10-5-2-1-3-6-10/h1-2,4,7-8,10,16H,3,5-6,9H2
DDNLSRWTKOHMIH-UHFFFAOYSA-N
C1CC(CC=C1)CNS(=O)(=O)C2=C(C(=CC=C2)Cl)F
C13H15ClFNO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
303.78 g/mol
Property Name
XLogP3-AA
Property Value
3.4
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
303.0496058 g/mol
Property Name
Monoisotopic Mass
Property Value
303.0496058 g/mol
Property Name
Topological Polar Surface Area
Property Value
54.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
421
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