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

C14H13ClN2O2S — CID 170607276

IUPAC[(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1Cl)c1ccc(OC)cn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-6-7-14(17-10-12)20(16,18)9-8-11-4-2-3-5-13(11)15/h2-10,16H,1H3/b9-8+
InChIKeyAAFYDQFMNUMVAT-CMDGGOBGSA-N
MW308.79 g/mol
LogP3.82
Rot. Bonds4

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

[(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane (PubChem CID 170607276) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane
PubChem CID170607276
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name[(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccc1Cl)c1ccc(OC)cn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-6-7-14(17-10-12)20(16,18)9-8-11-4-2-3-5-13(11)15/h2-10,16H,1H3/b9-8+
InChIKeyAAFYDQFMNUMVAT-CMDGGOBGSA-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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Related Compounds

2-chloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190292
2-chloro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155527259
2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155554308
[(E)-2-(2-chlorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607284
[(E)-2-(3-chloro-2-pyridinyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607289
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607300
[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607311
imino-(5-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-lambda6-sulfane
CID 170607318
[(E)-2-(3-chloro-2-pyridinyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607331
imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-lambda6-sulfane
CID 170607355
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(3-methoxy-2-pyridinyl)-oxo-lambda6-sulfane
CID 170607363
imino-(3-methoxy-2-pyridinyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-lambda6-sulfane
CID 170607367

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane (CID 170607276) is [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane.
What is the SMILES notation for [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The canonical SMILES for [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane is [H]N=S(=O)(/C=C/c1ccccc1Cl)c1ccc(OC)cn1.
What is the InChIKey of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
The InChIKey is AAFYDQFMNUMVAT-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-12-6-7-14(17-10-12)20(16,18)9-8-11-4-2-3-5-13(11)15/h2-10,16H,1H3/b9-8+.
What are the key properties of [(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane?
[(E)-2-(2-chlorophenyl)ethenyl]-imino-(5-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-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane is sourced from PubChem (CID 170607276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).