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

C11H13F4N3O2S — CID 133371214

IUPACN-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C11H13F4N3O2S/c1-21(19,20)17-6-3-2-4-18(5-6)9-7(12)10(14)16-11(15)8(9)13/h6,17H,2-5H2,1H3
InChIKeyANRPTJUBLKOJHB-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.16
Rot. Bonds3

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

N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide (PubChem CID 133371214) has the molecular formula C11H13F4N3O2S and a molecular weight of 327.30 g/mol. Its IUPAC name is N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
PubChem CID133371214
Molecular FormulaC11H13F4N3O2S
Molecular Weight327.30 g/mol
Exact Mass327.07
IUPAC NameN-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C11H13F4N3O2S/c1-21(19,20)17-6-3-2-4-18(5-6)9-7(12)10(14)16-11(15)8(9)13/h6,17H,2-5H2,1H3
InChIKeyANRPTJUBLKOJHB-UHFFFAOYSA-N
XLogP1.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide (CID 133371214) is N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2c(F)c(F)nc(F)c2F)C1.
What is the InChIKey of N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is ANRPTJUBLKOJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O2S/c1-21(19,20)17-6-3-2-4-18(5-6)9-7(12)10(14)16-11(15)8(9)13/h6,17H,2-5H2,1H3.
What are the key properties of N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 327.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 133371214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).