N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide

C24H24F5N3O4S — CID 10392658

About N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 10392658) has the molecular formula C24H24F5N3O4S and a molecular weight of 545.53 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
• PubChem CID: 10392658
• Molecular Formula: C24H24F5N3O4S
• Molecular Weight: 545.53 g/mol
• Exact Mass: 545.14
• IUPAC Name: N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
• SMILES: C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CC1
• InChI: InChI=1S/C24H24F5N3O4S/c1-2-13-32-14-11-22(12-15-32,21(33)31-34)37(35,36)19-6-4-18(5-7-19)20-8-3-17(16-30-20)9-10-23(25,26)24(27,28)29/h1,3-8,16,34H,9-15H2,(H,31,33)
• InChIKey: CUAFTHPHNJPMJW-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 99.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.53
LogP ≤ 5	3.63
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide (CID 10392658) is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CC1.

What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide?

The InChIKey is CUAFTHPHNJPMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N3O4S/c1-2-13-32-14-11-22(12-15-32,21(33)31-34)37(35,36)19-6-4-18(5-7-19)20-8-3-17(16-30-20)9-10-23(25,26)24(27,28)29/h1,3-8,16,34H,9-15H2,(H,31,33).

What are the key properties of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide?

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 545.53 g/mol, XLogP of 3.63, 8 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-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 10392658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).