2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone

C20H17FN2OS — CID 7206141

IUPAC2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCCc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H17FN2OS/c1-2-14-3-5-15(6-4-14)18-11-12-20(23-22-18)25-13-19(24)16-7-9-17(21)10-8-16/h3-12H,2,13H2,1H3
InChIKeyLRDIIMKFJKTHMU-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.82
Rot. Bonds6

About 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone

2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (PubChem CID 7206141) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
PubChem CID7206141
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCCc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H17FN2OS/c1-2-14-3-5-15(6-4-14)18-11-12-20(23-22-18)25-13-19(24)16-7-9-17(21)10-8-16/h3-12H,2,13H2,1H3
InChIKeyLRDIIMKFJKTHMU-UHFFFAOYSA-N
XLogP4.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (CID 7206141) is 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is CCc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The InChIKey is LRDIIMKFJKTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-2-14-3-5-15(6-4-14)18-11-12-20(23-22-18)25-13-19(24)16-7-9-17(21)10-8-16/h3-12H,2,13H2,1H3.
What are the key properties of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone has a molecular weight of 352.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 7206141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).