1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

C24H28ClF5N2O4S — CID 158345546

About 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 158345546) has the molecular formula C24H28ClF5N2O4S and a molecular weight of 571.01 g/mol. Its IUPAC name is 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• PubChem CID: 158345546
• Molecular Formula: C24H28ClF5N2O4S
• Molecular Weight: 571.01 g/mol
• Exact Mass: 570.14
• IUPAC Name: 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• SMILES: CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cc3)cc2)CC1.Cl
• InChI: InChI=1S/C24H27F5N2O4S.ClH/c1-2-31-15-13-22(14-16-31,21(32)30-33)36(34,35)20-9-7-19(8-10-20)18-5-3-17(4-6-18)11-12-23(25,26)24(27,28)29;/h3-10,33H,2,11-16H2,1H3,(H,30,32);1H
• InChIKey: QRERZPNEIZEVNG-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.01
LogP ≤ 5	5.04
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 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The IUPAC name of 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 158345546) is 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The canonical SMILES for 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cc3)cc2)CC1.Cl.

What is the InChIKey of 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The InChIKey is QRERZPNEIZEVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N2O4S.ClH/c1-2-31-15-13-22(14-16-31,21(32)30-33)36(34,35)20-9-7-19(8-10-20)18-5-3-17(4-6-18)11-12-23(25,26)24(27,28)29;/h3-10,33H,2,11-16H2,1H3,(H,30,32);1H.

What are the key properties of 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 571.01 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 158345546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).