1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

C22H24F3N3O5S — CID 10458607

IUPAC1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C22H24F3N3O5S/c23-22(24,25)9-1-2-16-3-8-19(26-14-16)17-4-6-18(7-5-17)34(32,33)21(20(30)27-31)10-12-28(15-29)13-11-21/h3-8,14-15,31H,1-2,9-13H2,(H,27,30)
InChIKeyXNSWMCJILALJRQ-UHFFFAOYSA-N
MW499.51 g/mol
LogP2.90
Rot. Bonds8

About 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10458607) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10458607
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC Name1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C22H24F3N3O5S/c23-22(24,25)9-1-2-16-3-8-19(26-14-16)17-4-6-18(7-5-17)34(32,33)21(20(30)27-31)10-12-28(15-29)13-11-21/h3-8,14-15,31H,1-2,9-13H2,(H,27,30)
InChIKeyXNSWMCJILALJRQ-UHFFFAOYSA-N
XLogP2.90
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

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N-[(1S)-3-amino-1-cyano-3-oxopropyl]-2,2-dimethyl-3-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]sulfonylpropanamide
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N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10458607) is 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is O=CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is XNSWMCJILALJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5S/c23-22(24,25)9-1-2-16-3-8-19(26-14-16)17-4-6-18(7-5-17)34(32,33)21(20(30)27-31)10-12-28(15-29)13-11-21/h3-8,14-15,31H,1-2,9-13H2,(H,27,30).
What are the key properties of 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 499.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10458607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).