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

C23H26F5N3O4S — CID 10098643

IUPAC1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C23H26F5N3O4S/c1-2-31-13-11-21(12-14-31,20(32)30-33)36(34,35)18-6-4-17(5-7-18)19-8-3-16(15-29-19)9-10-22(24,25)23(26,27)28/h3-8,15,33H,2,9-14H2,1H3,(H,30,32)
InChIKeyCPZIMNKSOMURQI-UHFFFAOYSA-N
MW535.54 g/mol
LogP4.01
Rot. Bonds8

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

1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10098643) has the molecular formula C23H26F5N3O4S and a molecular weight of 535.54 g/mol. Its IUPAC name is 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10098643
Molecular FormulaC23H26F5N3O4S
Molecular Weight535.54 g/mol
Exact Mass535.16
IUPAC Name1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C23H26F5N3O4S/c1-2-31-13-11-21(12-14-31,20(32)30-33)36(34,35)18-6-4-17(5-7-18)19-8-3-16(15-29-19)9-10-22(24,25)23(26,27)28/h3-8,15,33H,2,9-14H2,1H3,(H,30,32)
InChIKeyCPZIMNKSOMURQI-UHFFFAOYSA-N
XLogP4.01
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10098643) is 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is CPZIMNKSOMURQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F5N3O4S/c1-2-31-13-11-21(12-14-31,20(32)30-33)36(34,35)18-6-4-17(5-7-18)19-8-3-16(15-29-19)9-10-22(24,25)23(26,27)28/h3-8,15,33H,2,9-14H2,1H3,(H,30,32).
What are the key properties of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 535.54 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10098643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).