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CID 30286656

PubChem CID
30286656
Structure
CID 30286656_small.png
Molecular Formula
Status
Non-live
Molecular Weight
363.8 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 30286656.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3-chloro-2-fluorophenyl)-(3-sulfamoylphenyl)sulfonylazanide

2.1.2 InChI

InChI=1S/C12H9ClFN2O4S2/c13-10-5-2-6-11(12(10)14)16-22(19,20)9-4-1-3-8(7-9)21(15,17)18/h1-7H,(H2,15,17,18)/q-1

2.1.3 InChIKey

KXNAXIZEBFPJCS-UHFFFAOYSA-N

2.1.4 SMILES

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

2.2 Molecular Formula

C12H9ClFN2O4S2-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
363.8 g/mol
Property Name
XLogP3-AA
Property Value
1.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
362.9676300 g/mol
Property Name
Monoisotopic Mass
Property Value
362.9676300 g/mol
Property Name
Topological Polar Surface Area
Property Value
112 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
587
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