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

C8H9F3N2O3S — CID 60890469

IUPACN-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H9F3N2O3S/c1-13(5-8(9,10)11)17(15,16)6-2-3-7(14)12-4-6/h2-4H,5H2,1H3,(H,12,14)
InChIKeyHJLBWOHBSDKCDS-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.56
Rot. Bonds3

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

N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (PubChem CID 60890469) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
PubChem CID60890469
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC NameN-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H9F3N2O3S/c1-13(5-8(9,10)11)17(15,16)6-2-3-7(14)12-4-6/h2-4H,5H2,1H3,(H,12,14)
InChIKeyHJLBWOHBSDKCDS-UHFFFAOYSA-N
XLogP0.56
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (CID 60890469) is N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is HJLBWOHBSDKCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-13(5-8(9,10)11)17(15,16)6-2-3-7(14)12-4-6/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 270.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60890469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).