CID 29271567
PubChem CID
29271567
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3-amino-2,6-dimethylphenyl)-(2-cyanophenyl)sulfonylazanide
InChI=1S/C15H14N3O2S/c1-10-7-8-13(17)11(2)15(10)18-21(19,20)14-6-4-3-5-12(14)9-16/h3-8H,17H2,1-2H3/q-1
XCKGDJADBHNAKC-UHFFFAOYSA-N
CC1=C(C(=C(C=C1)N)C)[N-]S(=O)(=O)C2=CC=CC=C2C#N
C15H14N3O2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.4 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
300.08067287 g/mol
Property Name
Monoisotopic Mass
Property Value
300.08067287 g/mol
Property Name
Topological Polar Surface Area
Property Value
93.3 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
505
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