N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

C20H26F5N3O5S — CID 10324210

About N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10324210) has the molecular formula C20H26F5N3O5S and a molecular weight of 515.50 g/mol. Its IUPAC name is N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
• PubChem CID: 10324210
• Molecular Formula: C20H26F5N3O5S
• Molecular Weight: 515.50 g/mol
• Exact Mass: 515.15
• IUPAC Name: N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
• SMILES: O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)nc3)CC2)CCOCC1
• InChI: InChI=1S/C20H26F5N3O5S/c21-19(22,20(23,24)25)6-3-16-2-1-15(13-26-16)14-4-9-28(10-5-14)34(31,32)18(17(29)27-30)7-11-33-12-8-18/h1-2,13-14,30H,3-12H2,(H,27,29)
• InChIKey: ZBJNITNHSUTGTF-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 108.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.50
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10324210) is N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)nc3)CC2)CCOCC1.

What is the InChIKey of N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?

The InChIKey is ZBJNITNHSUTGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F5N3O5S/c21-19(22,20(23,24)25)6-3-16-2-1-15(13-26-16)14-4-9-28(10-5-14)34(31,32)18(17(29)27-30)7-11-33-12-8-18/h1-2,13-14,30H,3-12H2,(H,27,29).

What are the key properties of N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?

N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 515.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)-3-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10324210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).