2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone

C24H19F4NO4S — CID 162133303

IUPAC2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)C1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H19F4NO4S/c25-18-5-7-19(8-6-18)33-23-9-4-15(14-29-23)10-22(30)16-11-21(12-16)34(31,32)20-3-1-2-17(13-20)24(26,27)28/h1-9,13-14,16,21H,10-12H2
InChIKeyZIYFRRZMFKESQH-UHFFFAOYSA-N
MW493.48 g/mol
LogP5.40
Rot. Bonds7

About 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone

2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone (PubChem CID 162133303) has the molecular formula C24H19F4NO4S and a molecular weight of 493.48 g/mol. Its IUPAC name is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
PubChem CID162133303
Molecular FormulaC24H19F4NO4S
Molecular Weight493.48 g/mol
Exact Mass493.10
IUPAC Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)C1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H19F4NO4S/c25-18-5-7-19(8-6-18)33-23-9-4-15(14-29-23)10-22(30)16-11-21(12-16)34(31,32)20-3-1-2-17(13-20)24(26,27)28/h1-9,13-14,16,21H,10-12H2
InChIKeyZIYFRRZMFKESQH-UHFFFAOYSA-N
XLogP5.40
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenoxy)phenyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 147840898
2-(5-chloro-3-pyridinyl)-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 162197775
1-(3-fluoro-5-methoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]propan-1-one
CID 153186496
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532499
(4-pyridin-2-yloxyphenyl) 3-(trifluoromethyl)benzenesulfonate
CID 24656913
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56545552
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone (CID 162133303) is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone is O=C(Cc1ccc(Oc2ccc(F)cc2)nc1)C1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone?
The InChIKey is ZIYFRRZMFKESQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4NO4S/c25-18-5-7-19(8-6-18)33-23-9-4-15(14-29-23)10-22(30)16-11-21(12-16)34(31,32)20-3-1-2-17(13-20)24(26,27)28/h1-9,13-14,16,21H,10-12H2.
What are the key properties of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone?
2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone has a molecular weight of 493.48 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone is sourced from PubChem (CID 162133303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).