[2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone

C23H24F6N2O6S2 — CID 87501794

IUPAC[2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone
SMILESCC(CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F6N2O6S2/c1-14(39(35,36)20-5-3-4-19(30-20)22(24,25)26)12-15-8-10-31(11-9-15)21(32)17-7-6-16(37-23(27,28)29)13-18(17)38(2,33)34/h3-7,13-15H,8-12H2,1-2H3
InChIKeyAADWBABDXUNKDZ-UHFFFAOYSA-N
MW602.58 g/mol
LogP4.51
Rot. Bonds7

About [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone

[2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone (PubChem CID 87501794) has the molecular formula C23H24F6N2O6S2 and a molecular weight of 602.58 g/mol. Its IUPAC name is [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone
PubChem CID87501794
Molecular FormulaC23H24F6N2O6S2
Molecular Weight602.58 g/mol
Exact Mass602.10
IUPAC Name[2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone
SMILESCC(CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F6N2O6S2/c1-14(39(35,36)20-5-3-4-19(30-20)22(24,25)26)12-15-8-10-31(11-9-15)21(32)17-7-6-16(37-23(27,28)29)13-18(17)38(2,33)34/h3-7,13-15H,8-12H2,1-2H3
InChIKeyAADWBABDXUNKDZ-UHFFFAOYSA-N
XLogP4.51
TPSA110.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]piperidin-1-yl]methanone
CID 59447159
(4-methoxy-3-methylsulfonylphenyl)-[4-[1-[3-(trifluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 68524525
[4-(difluoromethoxy)-2-methylsulfonylphenyl]-[4-[(4-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methanone
CID 59447212
[4-(difluoromethoxy)-2-methylsulfonylphenyl]-[4-[2-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-2-yl]piperidin-1-yl]methanone
CID 59447357
1,1-difluoroethane;(4-methyl-3-methylsulfonylphenyl)-[4-[2-[3-(trifluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 143785669
[4-[1-(4-fluorophenyl)sulfonylethyl]piperidin-1-yl]-[4-methylsulfonyl-2-(trifluoromethoxy)phenyl]methanone
CID 25255985
[2-(2,2-difluoroethyl)phenyl]-[4-[2-[3-(trifluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 70262517
[3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[(1S)-1-[3-(trifluoromethyl)phenyl]sulfonylethyl]piperidin-1-yl]methanone
CID 59447382
[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 172563826
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025
(4-cyclopropyloxy-2-methylsulfonylphenyl)-[4-[2-[3-(1,1-difluoroethyl)-5-fluorophenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 143785683
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone?
The IUPAC name of [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone (CID 87501794) is [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone is CC(CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone?
The InChIKey is AADWBABDXUNKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O6S2/c1-14(39(35,36)20-5-3-4-19(30-20)22(24,25)26)12-15-8-10-31(11-9-15)21(32)17-7-6-16(37-23(27,28)29)13-18(17)38(2,33)34/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone?
[2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone has a molecular weight of 602.58 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonyl-4-(trifluoromethoxy)phenyl]-[4-[2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]propyl]piperidin-1-yl]methanone is sourced from PubChem (CID 87501794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).