CID 51397719
PubChem CID
51397719
Structure
Molecular Formula
Status
Non-live
Molecular Weight
316.2 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(5-amino-2-chlorophenyl)sulfonyl-(2-chlorophenyl)azanide
InChI=1S/C12H9Cl2N2O2S/c13-9-3-1-2-4-11(9)16-19(17,18)12-7-8(15)5-6-10(12)14/h1-7H,15H2/q-1
KWKZLQJNFCMMQB-UHFFFAOYSA-N
C1=CC=C(C(=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)N)Cl)Cl
C12H9Cl2N2O2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
316.2 g/mol
Property Name
XLogP3
Property Value
2.6
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
3
Property Name
Exact Mass
Property Value
314.9761791 g/mol
Property Name
Monoisotopic Mass
Property Value
314.9761791 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.5 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
399
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
Old substance
CONTENTS