[(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane

C13H10Cl2N2OS — CID 170607358

IUPAC[(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1Cl)c1ccc(Cl)cn1
InChIInChI=1S/C13H10Cl2N2OS/c14-11-5-6-13(17-9-11)19(16,18)8-7-10-3-1-2-4-12(10)15/h1-9,16H/b8-7+
InChIKeyXREVRZPQZCQBJC-BQYQJAHWSA-N
MW313.21 g/mol
LogP4.46
Rot. Bonds3

About [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane

[(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane (PubChem CID 170607358) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane
PubChem CID170607358
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name[(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1Cl)c1ccc(Cl)cn1
InChIInChI=1S/C13H10Cl2N2OS/c14-11-5-6-13(17-9-11)19(16,18)8-7-10-3-1-2-4-12(10)15/h1-9,16H/b8-7+
InChIKeyXREVRZPQZCQBJC-BQYQJAHWSA-N
XLogP4.46
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane?
The IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane (CID 170607358) is [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane?
The canonical SMILES for [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(/C=C/c1ccccc1Cl)c1ccc(Cl)cn1.
What is the InChIKey of [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane?
The InChIKey is XREVRZPQZCQBJC-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-11-5-6-13(17-9-11)19(16,18)8-7-10-3-1-2-4-12(10)15/h1-9,16H/b8-7+.
What are the key properties of [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane?
[(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane has a molecular weight of 313.21 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-chlorophenyl)ethenyl]-(5-chloro-2-pyridinyl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 170607358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).