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

C18H13FN2OS — CID 8543105

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1
InChIInChI=1S/C18H13FN2OS/c19-15-8-6-13(7-9-15)16-10-11-18(21-20-16)23-12-17(22)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeySDIAUWISCYDEJW-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.26
Rot. Bonds5

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

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (PubChem CID 8543105) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
PubChem CID8543105
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1
InChIInChI=1S/C18H13FN2OS/c19-15-8-6-13(7-9-15)16-10-11-18(21-20-16)23-12-17(22)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeySDIAUWISCYDEJW-UHFFFAOYSA-N
XLogP4.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (CID 8543105) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The InChIKey is SDIAUWISCYDEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-15-8-6-13(7-9-15)16-10-11-18(21-20-16)23-12-17(22)14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone has a molecular weight of 324.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 8543105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).