N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H17F3N2O2S — CID 84600539

IUPACN-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O2S/c1-11(2,3)8-17(4)20(18,19)9-5-6-10(16-7-9)12(13,14)15/h5-7H,8H2,1-4H3
InChIKeyOODAQFSLADBPAP-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.77
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 84600539) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID84600539
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O2S/c1-11(2,3)8-17(4)20(18,19)9-5-6-10(16-7-9)12(13,14)15/h5-7H,8H2,1-4H3
InChIKeyOODAQFSLADBPAP-UHFFFAOYSA-N
XLogP2.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)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-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 84600539) is N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide is CN(CC(C)(C)C)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is OODAQFSLADBPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-11(2,3)8-17(4)20(18,19)9-5-6-10(16-7-9)12(13,14)15/h5-7H,8H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 310.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 84600539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).