1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide

C23H24F4N2O5S — CID 10006759

IUPAC1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C23H24F4N2O5S/c24-20(25)23(26,27)34-18-7-1-15(2-8-18)16-3-9-19(10-4-16)35(32,33)22(21(30)28-31)11-13-29(14-12-22)17-5-6-17/h1-4,7-10,17,20,31H,5-6,11-14H2,(H,28,30)
InChIKeyWEVVYXCEQHZGSC-UHFFFAOYSA-N
MW516.51 g/mol
LogP3.87
Rot. Bonds8

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

1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10006759) has the molecular formula C23H24F4N2O5S and a molecular weight of 516.51 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10006759
Molecular FormulaC23H24F4N2O5S
Molecular Weight516.51 g/mol
Exact Mass516.13
IUPAC Name1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C23H24F4N2O5S/c24-20(25)23(26,27)34-18-7-1-15(2-8-18)16-3-9-19(10-4-16)35(32,33)22(21(30)28-31)11-13-29(14-12-22)17-5-6-17/h1-4,7-10,17,20,31H,5-6,11-14H2,(H,28,30)
InChIKeyWEVVYXCEQHZGSC-UHFFFAOYSA-N
XLogP3.87
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.51
LogP ≤ 53.87
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10006759) is 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is WEVVYXCEQHZGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O5S/c24-20(25)23(26,27)34-18-7-1-15(2-8-18)16-3-9-19(10-4-16)35(32,33)22(21(30)28-31)11-13-29(14-12-22)17-5-6-17/h1-4,7-10,17,20,31H,5-6,11-14H2,(H,28,30).
What are the key properties of 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 516.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10006759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).