N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide

C13H18F3N3O3S — CID 39667071

IUPACN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C13H18F3N3O3S/c14-13(15,16)10-22-12-8-11(4-5-17-12)9-18-23(20,21)19-6-2-1-3-7-19/h4-5,8,18H,1-3,6-7,9-10H2
InChIKeyJBXPXHQKDRXLGF-UHFFFAOYSA-N
MW353.37 g/mol
LogP1.84
Rot. Bonds6

About N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide

N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide (PubChem CID 39667071) has the molecular formula C13H18F3N3O3S and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide
PubChem CID39667071
Molecular FormulaC13H18F3N3O3S
Molecular Weight353.37 g/mol
Exact Mass353.10
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C13H18F3N3O3S/c14-13(15,16)10-22-12-8-11(4-5-17-12)9-18-23(20,21)19-6-2-1-3-7-19/h4-5,8,18H,1-3,6-7,9-10H2
InChIKeyJBXPXHQKDRXLGF-UHFFFAOYSA-N
XLogP1.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide (CID 39667071) is N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide is O=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide?
The InChIKey is JBXPXHQKDRXLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O3S/c14-13(15,16)10-22-12-8-11(4-5-17-12)9-18-23(20,21)19-6-2-1-3-7-19/h4-5,8,18H,1-3,6-7,9-10H2.
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide?
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide has a molecular weight of 353.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 39667071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).