[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane

C14H13ClN2O2S — CID 170607311

IUPAC[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1Cl)c1cc(OC)ccn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-6-8-17-14(10-12)20(16,18)9-7-11-4-2-3-5-13(11)15/h2-10,16H,1H3/b9-7+
InChIKeyKORGLJTYHAMDED-VQHVLOKHSA-N
MW308.79 g/mol
LogP3.82
Rot. Bonds4

About [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane

[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane (PubChem CID 170607311) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane
PubChem CID170607311
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1Cl)c1cc(OC)ccn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-6-8-17-14(10-12)20(16,18)9-7-11-4-2-3-5-13(11)15/h2-10,16H,1H3/b9-7+
InChIKeyKORGLJTYHAMDED-VQHVLOKHSA-N
XLogP3.82
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane (CID 170607311) is [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane.
What is the SMILES notation for [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The canonical SMILES for [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane is [H]N=S(=O)(/C=C/c1ccccc1Cl)c1cc(OC)ccn1.
What is the InChIKey of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The InChIKey is KORGLJTYHAMDED-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-12-6-8-17-14(10-12)20(16,18)9-7-11-4-2-3-5-13(11)15/h2-10,16H,1H3/b9-7+.
What are the key properties of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane has a molecular weight of 308.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-λ6-sulfane is sourced from PubChem (CID 170607311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).