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

C11H15F3N2O3S — CID 60959811

IUPACN-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H15F3N2O3S/c1-2-3-6-16(8-11(12,13)14)20(18,19)9-4-5-10(17)15-7-9/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyXWHAMAFHTXXRQA-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.73
Rot. Bonds6

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

N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (PubChem CID 60959811) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
PubChem CID60959811
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC NameN-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H15F3N2O3S/c1-2-3-6-16(8-11(12,13)14)20(18,19)9-4-5-10(17)15-7-9/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyXWHAMAFHTXXRQA-UHFFFAOYSA-N
XLogP1.73
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (CID 60959811) is N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is XWHAMAFHTXXRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-2-3-6-16(8-11(12,13)14)20(18,19)9-4-5-10(17)15-7-9/h4-5,7H,2-3,6,8H2,1H3,(H,15,17).
What are the key properties of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60959811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).