N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide

C13H18F3N3O2S — CID 69456095

IUPACN-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O2S/c1-2-11-4-3-5-12(17-11)18-22(20,21)19-8-6-10(7-9-19)13(14,15)16/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyCCPFKOMWRQQVQA-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.58
Rot. Bonds4

About N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide

N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide (PubChem CID 69456095) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide
PubChem CID69456095
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC NameN-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O2S/c1-2-11-4-3-5-12(17-11)18-22(20,21)19-8-6-10(7-9-19)13(14,15)16/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyCCPFKOMWRQQVQA-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide (CID 69456095) is N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide is CCc1cccc(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide?
The InChIKey is CCPFKOMWRQQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-2-11-4-3-5-12(17-11)18-22(20,21)19-8-6-10(7-9-19)13(14,15)16/h3-5,10H,2,6-9H2,1H3,(H,17,18).
What are the key properties of N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide?
N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide has a molecular weight of 337.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-pyridinyl)-4-(trifluoromethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 69456095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).