N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide

C9H11F3N2O3S — CID 55009765

IUPACN-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H11F3N2O3S/c1-2-14(6-9(10,11)12)18(16,17)7-3-4-8(15)13-5-7/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyQWUZLEXHRYWNSH-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.95
Rot. Bonds4

About N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide

N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (PubChem CID 55009765) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
PubChem CID55009765
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC NameN-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H11F3N2O3S/c1-2-14(6-9(10,11)12)18(16,17)7-3-4-8(15)13-5-7/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyQWUZLEXHRYWNSH-UHFFFAOYSA-N
XLogP0.95
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (CID 55009765) is N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is QWUZLEXHRYWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c1-2-14(6-9(10,11)12)18(16,17)7-3-4-8(15)13-5-7/h3-5H,2,6H2,1H3,(H,13,15).
What are the key properties of N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 55009765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).