1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone

C15H12F3NO3S — CID 143311241

IUPAC1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H12F3NO3S/c1-10(20)14-7-3-5-12(19-14)9-23(21,22)13-6-2-4-11(8-13)15(16,17)18/h2-8H,9H2,1H3
InChIKeyPAXULPZKMWDQIH-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.28
Rot. Bonds4

About 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone

1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone (PubChem CID 143311241) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone
PubChem CID143311241
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H12F3NO3S/c1-10(20)14-7-3-5-12(19-14)9-23(21,22)13-6-2-4-11(8-13)15(16,17)18/h2-8H,9H2,1H3
InChIKeyPAXULPZKMWDQIH-UHFFFAOYSA-N
XLogP3.28
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 58210568
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501
1-[3-(trifluoromethyl)phenyl]sulfonylpentan-2-one
CID 64643363
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 64646267
6-[3-(trifluoromethyl)phenyl]sulfonylhexan-3-one
CID 106807681
ethyl 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 43174233
N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
CID 71977096
2-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 115474691
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone (CID 143311241) is 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone is CC(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone?
The InChIKey is PAXULPZKMWDQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-10(20)14-7-3-5-12(19-14)9-23(21,22)13-6-2-4-11(8-13)15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone?
1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone has a molecular weight of 343.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 143311241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).