2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone

C13H9ClFNOS — CID 66142157

IUPAC2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CSc1ccccc1Cl)c1cncc(F)c1
InChIInChI=1S/C13H9ClFNOS/c14-11-3-1-2-4-13(11)18-8-12(17)9-5-10(15)7-16-6-9/h1-7H,8H2
InChIKeySPDFDCMPZHNAKS-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone

2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 66142157) has the molecular formula C13H9ClFNOS and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID66142157
Molecular FormulaC13H9ClFNOS
Molecular Weight281.74 g/mol
Exact Mass281.01
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CSc1ccccc1Cl)c1cncc(F)c1
InChIInChI=1S/C13H9ClFNOS/c14-11-3-1-2-4-13(11)18-8-12(17)9-5-10(15)7-16-6-9/h1-7H,8H2
InChIKeySPDFDCMPZHNAKS-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 65136460
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone
CID 66271398
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone (CID 66142157) is 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone is O=C(CSc1ccccc1Cl)c1cncc(F)c1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is SPDFDCMPZHNAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNOS/c14-11-3-1-2-4-13(11)18-8-12(17)9-5-10(15)7-16-6-9/h1-7H,8H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone?
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 281.74 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 66142157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).