1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C26H22F4N2O6S — CID 22707808

IUPAC1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(c1ccccc1F)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H22F4N2O6S/c27-22-4-2-1-3-21(22)23(33)32-15-13-25(14-16-32,24(34)31-35)39(36,37)20-11-9-19(10-12-20)38-18-7-5-17(6-8-18)26(28,29)30/h1-12,35H,13-16H2,(H,31,34)
InChIKeyWTIPHKIHORWUOJ-UHFFFAOYSA-N
MW566.53 g/mol
LogP4.59
Rot. Bonds6

About 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 22707808) has the molecular formula C26H22F4N2O6S and a molecular weight of 566.53 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID22707808
Molecular FormulaC26H22F4N2O6S
Molecular Weight566.53 g/mol
Exact Mass566.11
IUPAC Name1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(c1ccccc1F)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H22F4N2O6S/c27-22-4-2-1-3-21(22)23(33)32-15-13-25(14-16-32,24(34)31-35)39(36,37)20-11-9-19(10-12-20)38-18-7-5-17(6-8-18)26(28,29)30/h1-12,35H,13-16H2,(H,31,34)
InChIKeyWTIPHKIHORWUOJ-UHFFFAOYSA-N
XLogP4.59
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.53
LogP ≤ 54.59
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-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 22707808) is 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is O=C(c1ccccc1F)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is WTIPHKIHORWUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N2O6S/c27-22-4-2-1-3-21(22)23(33)32-15-13-25(14-16-32,24(34)31-35)39(36,37)20-11-9-19(10-12-20)38-18-7-5-17(6-8-18)26(28,29)30/h1-12,35H,13-16H2,(H,31,34).
What are the key properties of 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 566.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22707808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).