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

C22H24F4N2O5S — CID 10391421

IUPAC1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H24F4N2O5S/c1-2-28-13-11-21(12-14-28,20(29)27-30)34(31,32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)33-22(25,26)19(23)24/h3-10,19,30H,2,11-14H2,1H3,(H,27,29)
InChIKeyCSPGNAVDLZKBND-UHFFFAOYSA-N
MW504.50 g/mol
LogP3.72
Rot. Bonds8

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

1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10391421) has the molecular formula C22H24F4N2O5S and a molecular weight of 504.50 g/mol. Its IUPAC name is 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10391421
Molecular FormulaC22H24F4N2O5S
Molecular Weight504.50 g/mol
Exact Mass504.13
IUPAC Name1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H24F4N2O5S/c1-2-28-13-11-21(12-14-28,20(29)27-30)34(31,32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)33-22(25,26)19(23)24/h3-10,19,30H,2,11-14H2,1H3,(H,27,29)
InChIKeyCSPGNAVDLZKBND-UHFFFAOYSA-N
XLogP3.72
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 53.72
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-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10391421) is 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is CSPGNAVDLZKBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O5S/c1-2-28-13-11-21(12-14-28,20(29)27-30)34(31,32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)33-22(25,26)19(23)24/h3-10,19,30H,2,11-14H2,1H3,(H,27,29).
What are the key properties of 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 504.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10391421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).