N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

C23H26F3N3O5S — CID 10391724

IUPACN-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)CCOCC1
InChIInChI=1S/C23H26F3N3O5S/c24-23(25,26)19-4-1-16(2-5-19)18-3-6-20(27-15-18)17-7-11-29(12-8-17)35(32,33)22(21(30)28-31)9-13-34-14-10-22/h1-6,15,17,31H,7-14H2,(H,28,30)
InChIKeyZRTIOFDMGPXXLI-UHFFFAOYSA-N
MW513.54 g/mol
LogP3.33
Rot. Bonds5

About N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10391724) has the molecular formula C23H26F3N3O5S and a molecular weight of 513.54 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10391724
Molecular FormulaC23H26F3N3O5S
Molecular Weight513.54 g/mol
Exact Mass513.15
IUPAC NameN-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)CCOCC1
InChIInChI=1S/C23H26F3N3O5S/c24-23(25,26)19-4-1-16(2-5-19)18-3-6-20(27-15-18)17-7-11-29(12-8-17)35(32,33)22(21(30)28-31)9-13-34-14-10-22/h1-6,15,17,31H,7-14H2,(H,28,30)
InChIKeyZRTIOFDMGPXXLI-UHFFFAOYSA-N
XLogP3.33
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469004
(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469052
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[2-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469079
(2R)-3-[(5R)-3-[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469127
(2R)-3-[(5R)-3-[3-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469131
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469155
N-hydroxy-N-(4-((4-(2-(3-methylpyridin-2-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54584025
N-hydroxy-N-(4-((4-(2-(2-methylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54586896
(2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide
CID 118469013
(2R)-3-[(5R)-3-[4-(2-ethyl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469231
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxamide
CID 9983334
N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-2-prop-2-enylpent-4-enamide
CID 9984336

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10391724) is N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is ZRTIOFDMGPXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O5S/c24-23(25,26)19-4-1-16(2-5-19)18-3-6-20(27-15-18)17-7-11-29(12-8-17)35(32,33)22(21(30)28-31)9-13-34-14-10-22/h1-6,15,17,31H,7-14H2,(H,28,30).
What are the key properties of N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 513.54 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10391724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).