N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide

C13H17F4N3O2S — CID 133338886

IUPACN-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide
SMILESCCN(C1CCN(c2c(F)c(F)nc(F)c2F)CC1)S(C)(=O)=O
InChIInChI=1S/C13H17F4N3O2S/c1-3-20(23(2,21)22)8-4-6-19(7-5-8)11-9(14)12(16)18-13(17)10(11)15/h8H,3-7H2,1-2H3
InChIKeyBNKGHNYBFHYNIX-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.89
Rot. Bonds4

About N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide

N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide (PubChem CID 133338886) has the molecular formula C13H17F4N3O2S and a molecular weight of 355.36 g/mol. Its IUPAC name is N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide
PubChem CID133338886
Molecular FormulaC13H17F4N3O2S
Molecular Weight355.36 g/mol
Exact Mass355.10
IUPAC NameN-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide
SMILESCCN(C1CCN(c2c(F)c(F)nc(F)c2F)CC1)S(C)(=O)=O
InChIInChI=1S/C13H17F4N3O2S/c1-3-20(23(2,21)22)8-4-6-19(7-5-8)11-9(14)12(16)18-13(17)10(11)15/h8H,3-7H2,1-2H3
InChIKeyBNKGHNYBFHYNIX-UHFFFAOYSA-N
XLogP1.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide (CID 133338886) is N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide is CCN(C1CCN(c2c(F)c(F)nc(F)c2F)CC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is BNKGHNYBFHYNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3O2S/c1-3-20(23(2,21)22)8-4-6-19(7-5-8)11-9(14)12(16)18-13(17)10(11)15/h8H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide?
N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 355.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 133338886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).