4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one

C18H16F3NO3S — CID 162582780

IUPAC4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C18H16F3NO3S/c19-18(20,21)16-7-6-15(12-22-16)26(24,25)17(10-8-14(23)9-11-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyZEOBSHRNVRTJPS-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.91
Rot. Bonds3

About 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one

4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one (PubChem CID 162582780) has the molecular formula C18H16F3NO3S and a molecular weight of 383.39 g/mol. Its IUPAC name is 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one
PubChem CID162582780
Molecular FormulaC18H16F3NO3S
Molecular Weight383.39 g/mol
Exact Mass383.08
IUPAC Name4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C18H16F3NO3S/c19-18(20,21)16-7-6-15(12-22-16)26(24,25)17(10-8-14(23)9-11-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyZEOBSHRNVRTJPS-UHFFFAOYSA-N
XLogP3.91
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
4-(5-bromo-2-fluorophenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-amine
CID 67526316
N-[4-(2,5-difluorophenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexyl]pyrrolidine-1-sulfonamide
CID 21048994
1-[1-(benzenesulfonyl)cyclopentyl]-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 150543071
[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol
CID 117104583
4-[5-fluoro-2-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-one
CID 58485062
N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84599411
3-fluoro-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one
CID 59268897
1-[1-(benzenesulfonyl)cyclopropyl]-4-nitrobenzene
CID 717500
1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
CID 122068541
1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride
CID 155978324
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 46700978

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one?
The IUPAC name of 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one (CID 162582780) is 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one.
What is the SMILES notation for 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one?
The canonical SMILES for 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one is O=C1CCC(c2ccccc2)(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one?
The InChIKey is ZEOBSHRNVRTJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3S/c19-18(20,21)16-7-6-15(12-22-16)26(24,25)17(10-8-14(23)9-11-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one?
4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one has a molecular weight of 383.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one is sourced from PubChem (CID 162582780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).