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CID 51397719

PubChem CID
51397719
Structure
CID 51397719_small.png
Molecular Formula
Status
Non-live
Molecular Weight
316.2 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51397719.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-amino-2-chlorophenyl)sulfonyl-(2-chlorophenyl)azanide

2.1.2 InChI

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

2.1.3 InChIKey

KWKZLQJNFCMMQB-UHFFFAOYSA-N

2.1.4 SMILES

C1=CC=C(C(=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)N)Cl)Cl

2.2 Molecular Formula

C12H9Cl2N2O2S-

3 Chemical and Physical Properties

3.1 Computed Properties

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

5 Information Sources

CONTENTS