1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone

C18H12ClFN2OS — CID 7206194

IUPAC1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClFN2OS/c19-14-5-1-13(2-6-14)17(23)11-24-18-10-9-16(21-22-18)12-3-7-15(20)8-4-12/h1-10H,11H2
InChIKeyMHEKQEQNKVJPJK-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.91
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone

1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone (PubChem CID 7206194) has the molecular formula C18H12ClFN2OS and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone
PubChem CID7206194
Molecular FormulaC18H12ClFN2OS
Molecular Weight358.83 g/mol
Exact Mass358.03
IUPAC Name1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClFN2OS/c19-14-5-1-13(2-6-14)17(23)11-24-18-10-9-16(21-22-18)12-3-7-15(20)8-4-12/h1-10H,11H2
InChIKeyMHEKQEQNKVJPJK-UHFFFAOYSA-N
XLogP4.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone (CID 7206194) is 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is MHEKQEQNKVJPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2OS/c19-14-5-1-13(2-6-14)17(23)11-24-18-10-9-16(21-22-18)12-3-7-15(20)8-4-12/h1-10H,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 358.83 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 7206194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).