N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide

C21H28F5N3O4S — CID 10075163

About N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide

N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide (PubChem CID 10075163) has the molecular formula C21H28F5N3O4S and a molecular weight of 513.53 g/mol. Its IUPAC name is N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
• PubChem CID: 10075163
• Molecular Formula: C21H28F5N3O4S
• Molecular Weight: 513.53 g/mol
• Exact Mass: 513.17
• IUPAC Name: N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
• SMILES: O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCCCC1
• InChI: InChI=1S/C21H28F5N3O4S/c22-20(23,21(24,25)26)11-6-15-4-5-17(27-14-15)16-7-12-29(13-8-16)34(32,33)19(18(30)28-31)9-2-1-3-10-19/h4-5,14,16,31H,1-3,6-13H2,(H,28,30)
• InChIKey: NARFAYSDXVBPSC-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 99.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.53
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?

The IUPAC name of N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide (CID 10075163) is N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide.

What is the SMILES notation for N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?

The canonical SMILES for N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCCCC1.

What is the InChIKey of N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?

The InChIKey is NARFAYSDXVBPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F5N3O4S/c22-20(23,21(24,25)26)11-6-15-4-5-17(27-14-15)16-7-12-29(13-8-16)34(32,33)19(18(30)28-31)9-2-1-3-10-19/h4-5,14,16,31H,1-3,6-13H2,(H,28,30).

What are the key properties of N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?

N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide has a molecular weight of 513.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 10075163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).