1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone

C18H13FN2OS — CID 8541127

IUPAC1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-15-8-6-14(7-9-15)17(22)12-23-18-11-10-16(20-21-18)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyUORFXPGTIFFRBZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone (PubChem CID 8541127) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
PubChem CID8541127
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-15-8-6-14(7-9-15)17(22)12-23-18-11-10-16(20-21-18)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyUORFXPGTIFFRBZ-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 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone (CID 8541127) is 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2ccccc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The InChIKey is UORFXPGTIFFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-15-8-6-14(7-9-15)17(22)12-23-18-11-10-16(20-21-18)13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone 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 1-(4-fluorophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 8541127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).