N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C26H25F3N2O6S — CID 20735245

IUPACN-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H25F3N2O6S/c1-18-2-4-19(5-3-18)31-16-14-25(15-17-31,24(32)30-33)38(34,35)23-12-10-21(11-13-23)36-20-6-8-22(9-7-20)37-26(27,28)29/h2-13,33H,14-17H2,1H3,(H,30,32)
InChIKeyNIDZIJUSSLJYOD-UHFFFAOYSA-N
MW550.56 g/mol
LogP5.00
Rot. Bonds7

About N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 20735245) has the molecular formula C26H25F3N2O6S and a molecular weight of 550.56 g/mol. Its IUPAC name is N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID20735245
Molecular FormulaC26H25F3N2O6S
Molecular Weight550.56 g/mol
Exact Mass550.14
IUPAC NameN-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H25F3N2O6S/c1-18-2-4-19(5-3-18)31-16-14-25(15-17-31,24(32)30-33)38(34,35)23-12-10-21(11-13-23)36-20-6-8-22(9-7-20)37-26(27,28)29/h2-13,33H,14-17H2,1H3,(H,30,32)
InChIKeyNIDZIJUSSLJYOD-UHFFFAOYSA-N
XLogP5.00
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.56
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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 N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 20735245) is N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)cc1.
What is the InChIKey of N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is NIDZIJUSSLJYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O6S/c1-18-2-4-19(5-3-18)31-16-14-25(15-17-31,24(32)30-33)38(34,35)23-12-10-21(11-13-23)36-20-6-8-22(9-7-20)37-26(27,28)29/h2-13,33H,14-17H2,1H3,(H,30,32).
What are the key properties of N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 550.56 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20735245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).