N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

C23H26F5N3O6S — CID 58623170

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 58623170) has the molecular formula C23H26F5N3O6S and a molecular weight of 567.53 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
• PubChem CID: 58623170
• Molecular Formula: C23H26F5N3O6S
• Molecular Weight: 567.53 g/mol
• Exact Mass: 567.15
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)C(F)(F)F)cn3)cc2)CC1
• InChI: InChI=1S/C23H26F5N3O6S/c1-36-13-12-31-10-8-21(9-11-31,20(32)30-33)38(34,35)18-5-2-16(3-6-18)19-7-4-17(14-29-19)37-15-22(24,25)23(26,27)28/h2-7,14,33H,8-13,15H2,1H3,(H,30,32)
• InChIKey: NKLSNIDHFHYBCM-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 118.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.53
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 58623170) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)C(F)(F)F)cn3)cc2)CC1.

What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?

The InChIKey is NKLSNIDHFHYBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F5N3O6S/c1-36-13-12-31-10-8-21(9-11-31,20(32)30-33)38(34,35)18-5-2-16(3-6-18)19-7-4-17(14-29-19)37-15-22(24,25)23(26,27)28/h2-7,14,33H,8-13,15H2,1H3,(H,30,32).

What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?

N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 567.53 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 58623170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).