4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine

C13H11F3N2O2S — CID 674453

IUPAC4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1nc(F)c(F)c(S(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C13H11F3N2O2S/c1-18(2)13-10(15)11(9(14)12(16)17-13)21(19,20)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWYOWSLVIXMGRLW-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.40
Rot. Bonds3

About 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine

4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine (PubChem CID 674453) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine
PubChem CID674453
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1nc(F)c(F)c(S(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C13H11F3N2O2S/c1-18(2)13-10(15)11(9(14)12(16)17-13)21(19,20)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWYOWSLVIXMGRLW-UHFFFAOYSA-N
XLogP2.40
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine 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 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine (CID 674453) is 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine is CN(C)c1nc(F)c(F)c(S(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine?
The InChIKey is WYOWSLVIXMGRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-18(2)13-10(15)11(9(14)12(16)17-13)21(19,20)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine?
4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine has a molecular weight of 316.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3,5,6-trifluoro-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 674453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).