1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C26H23F3N2O6S — CID 22707837

IUPAC1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(c1ccccc1)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H23F3N2O6S/c27-26(28,29)19-6-8-20(9-7-19)37-21-10-12-22(13-11-21)38(35,36)25(24(33)30-34)14-16-31(17-15-25)23(32)18-4-2-1-3-5-18/h1-13,34H,14-17H2,(H,30,33)
InChIKeyUUNJBZCZDOGIRV-UHFFFAOYSA-N
MW548.54 g/mol
LogP4.45
Rot. Bonds6

About 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 22707837) has the molecular formula C26H23F3N2O6S and a molecular weight of 548.54 g/mol. Its IUPAC name is 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID22707837
Molecular FormulaC26H23F3N2O6S
Molecular Weight548.54 g/mol
Exact Mass548.12
IUPAC Name1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(c1ccccc1)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H23F3N2O6S/c27-26(28,29)19-6-8-20(9-7-19)37-21-10-12-22(13-11-21)38(35,36)25(24(33)30-34)14-16-31(17-15-25)23(32)18-4-2-1-3-5-18/h1-13,34H,14-17H2,(H,30,33)
InChIKeyUUNJBZCZDOGIRV-UHFFFAOYSA-N
XLogP4.45
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.54
LogP ≤ 54.45
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 22707837) is 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is O=C(c1ccccc1)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is UUNJBZCZDOGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O6S/c27-26(28,29)19-6-8-20(9-7-19)37-21-10-12-22(13-11-21)38(35,36)25(24(33)30-34)14-16-31(17-15-25)23(32)18-4-2-1-3-5-18/h1-13,34H,14-17H2,(H,30,33).
What are the key properties of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 548.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22707837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).