CID 25743820
PubChem CID
25743820
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.33 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
1-[(2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate
InChI=1S/C13H16FNO4S/c14-10-6-2-3-7-11(10)20(18,19)15-13(12(16)17)8-4-1-5-9-13/h2-3,6-7,15H,1,4-5,8-9H2,(H,16,17)/p-1
GFVJGJVRSARYKX-UHFFFAOYSA-M
C1CCC(CC1)(C(=O)[O-])NS(=O)(=O)C2=CC=CC=C2F
C13H15FNO4S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.33 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
300.07058230 g/mol
Property Name
Monoisotopic Mass
Property Value
300.07058230 g/mol
Property Name
Topological Polar Surface Area
Property Value
94.7 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
448
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
CONTENTS