1-phenyl-2-pyridin-2-ylsulfinylethanone

C13H11NO2S — CID 11032138

IUPAC1-phenyl-2-pyridin-2-ylsulfinylethanone
SMILESO=C(CS(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-12(11-6-2-1-3-7-11)10-17(16)13-8-4-5-9-14-13/h1-9H,10H2
InChIKeyUWWACNRNBHZFRD-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.07
Rot. Bonds4

About 1-phenyl-2-pyridin-2-ylsulfinylethanone

1-phenyl-2-pyridin-2-ylsulfinylethanone (PubChem CID 11032138) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-phenyl-2-pyridin-2-ylsulfinylethanone.

Molecular Properties

Compound Name1-phenyl-2-pyridin-2-ylsulfinylethanone
PubChem CID11032138
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name1-phenyl-2-pyridin-2-ylsulfinylethanone
SMILESO=C(CS(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-12(11-6-2-1-3-7-11)10-17(16)13-8-4-5-9-14-13/h1-9H,10H2
InChIKeyUWWACNRNBHZFRD-UHFFFAOYSA-N
XLogP2.07
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-benzylsulfinylpyridine
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2-pyridin-2-ylsulfinylethanol
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2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone
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2-(3-chloropropylsulfinyl)pyridine
CID 20509824
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-(cyclopropylmethylsulfinyl)pyridine
CID 66803349
2-pyrimidin-2-ylsulfinylacetic acid
CID 170537145
1-phenyl-5-pyridin-2-ylpentane-1,3,5-trione
CID 117060151
2-(pyridin-2-ylsulfinylmethyl)benzonitrile
CID 22764706
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyridin-2-ylsulfinylethanone?
The IUPAC name of 1-phenyl-2-pyridin-2-ylsulfinylethanone (CID 11032138) is 1-phenyl-2-pyridin-2-ylsulfinylethanone.
What is the SMILES notation for 1-phenyl-2-pyridin-2-ylsulfinylethanone?
The canonical SMILES for 1-phenyl-2-pyridin-2-ylsulfinylethanone is O=C(CS(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyridin-2-ylsulfinylethanone?
The InChIKey is UWWACNRNBHZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-12(11-6-2-1-3-7-11)10-17(16)13-8-4-5-9-14-13/h1-9H,10H2.
What are the key properties of 1-phenyl-2-pyridin-2-ylsulfinylethanone?
1-phenyl-2-pyridin-2-ylsulfinylethanone has a molecular weight of 245.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyridin-2-ylsulfinylethanone is sourced from PubChem (CID 11032138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).