imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane

C15H13F3N2O2S — CID 170607336

IUPACimino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1C(F)(F)F)c1ccccc1OC
InChIInChI=1S/C15H13F3N2O2S/c1-22-13-6-2-3-7-14(13)23(19,21)10-8-12-11(15(16,17)18)5-4-9-20-12/h2-10,19H,1H3/b10-8+
InChIKeyOVHDIXUBUKLVRQ-CSKARUKUSA-N
MW342.34 g/mol
LogP4.19
Rot. Bonds4

About imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane

imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane (PubChem CID 170607336) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane
PubChem CID170607336
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Nameimino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1C(F)(F)F)c1ccccc1OC
InChIInChI=1S/C15H13F3N2O2S/c1-22-13-6-2-3-7-14(13)23(19,21)10-8-12-11(15(16,17)18)5-4-9-20-12/h2-10,19H,1H3/b10-8+
InChIKeyOVHDIXUBUKLVRQ-CSKARUKUSA-N
XLogP4.19
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
The IUPAC name of imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane (CID 170607336) is imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane.
What is the SMILES notation for imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
The canonical SMILES for imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane is [H]N=S(=O)(/C=C/c1ncccc1C(F)(F)F)c1ccccc1OC.
What is the InChIKey of imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
The InChIKey is OVHDIXUBUKLVRQ-CSKARUKUSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-22-13-6-2-3-7-14(13)23(19,21)10-8-12-11(15(16,17)18)5-4-9-20-12/h2-10,19H,1H3/b10-8+.
What are the key properties of imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane?
imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane has a molecular weight of 342.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-λ6-sulfane is sourced from PubChem (CID 170607336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).