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

C18H12ClFN2OS — CID 7205803

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN2OS/c19-14-5-1-12(2-6-14)16-9-10-18(22-21-16)24-11-17(23)13-3-7-15(20)8-4-13/h1-10H,11H2
InChIKeyMVOSLSLZSJFMRE-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.91
Rot. Bonds5

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

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (PubChem CID 7205803) has the molecular formula C18H12ClFN2OS and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
PubChem CID7205803
Molecular FormulaC18H12ClFN2OS
Molecular Weight358.83 g/mol
Exact Mass358.03
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN2OS/c19-14-5-1-12(2-6-14)16-9-10-18(22-21-16)24-11-17(23)13-3-7-15(20)8-4-13/h1-10H,11H2
InChIKeyMVOSLSLZSJFMRE-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 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (CID 7205803) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The InChIKey is MVOSLSLZSJFMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2OS/c19-14-5-1-12(2-6-14)16-9-10-18(22-21-16)24-11-17(23)13-3-7-15(20)8-4-13/h1-10H,11H2.
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone 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 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 7205803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).