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

C12H17F3N2O3S — CID 60959939

IUPAC6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17F3N2O3S/c1-3-9(4-2)17(8-12(13,14)15)21(19,20)10-5-6-11(18)16-7-10/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyWNVRHPPBCXQRAR-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.12
Rot. Bonds6

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

6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (PubChem CID 60959939) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
PubChem CID60959939
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC Name6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17F3N2O3S/c1-3-9(4-2)17(8-12(13,14)15)21(19,20)10-5-6-11(18)16-7-10/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyWNVRHPPBCXQRAR-UHFFFAOYSA-N
XLogP2.12
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (CID 60959939) is 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is WNVRHPPBCXQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-3-9(4-2)17(8-12(13,14)15)21(19,20)10-5-6-11(18)16-7-10/h5-7,9H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60959939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).