N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

C23H27ClF4N2O6S — CID 86594141

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 86594141) has the molecular formula C23H27ClF4N2O6S and a molecular weight of 570.99 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• PubChem CID: 86594141
• Molecular Formula: C23H27ClF4N2O6S
• Molecular Weight: 570.99 g/mol
• Exact Mass: 570.12
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1.Cl
• InChI: InChI=1S/C23H26F4N2O6S.ClH/c1-34-15-14-29-12-10-22(11-13-29,21(30)28-31)36(32,33)19-8-4-17(5-9-19)16-2-6-18(7-3-16)35-23(26,27)20(24)25;/h2-9,20,31H,10-15H2,1H3,(H,28,30);1H
• InChIKey: CWHXHSJPHDFRRF-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 105.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.99
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 86594141) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1.Cl.

What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The InChIKey is CWHXHSJPHDFRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2O6S.ClH/c1-34-15-14-29-12-10-22(11-13-29,21(30)28-31)36(32,33)19-8-4-17(5-9-19)16-2-6-18(7-3-16)35-23(26,27)20(24)25;/h2-9,20,31H,10-15H2,1H3,(H,28,30);1H.

What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 570.99 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 86594141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).