6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide

C11H6F4N2O2S2 — CID 46861806

IUPAC6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C11H6F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)20-8-2-1-5(4-17-8)21(16,18)19/h1-4H,(H2,16,18,19)
InChIKeyVFNLQGFWLLNNHB-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.44
Rot. Bonds3

About 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide

6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide (PubChem CID 46861806) has the molecular formula C11H6F4N2O2S2 and a molecular weight of 338.31 g/mol. Its IUPAC name is 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide
PubChem CID46861806
Molecular FormulaC11H6F4N2O2S2
Molecular Weight338.31 g/mol
Exact Mass337.98
IUPAC Name6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C11H6F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)20-8-2-1-5(4-17-8)21(16,18)19/h1-4H,(H2,16,18,19)
InChIKeyVFNLQGFWLLNNHB-UHFFFAOYSA-N
XLogP2.44
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-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 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide?
The IUPAC name of 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide (CID 46861806) is 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide is NS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)nc1.
What is the InChIKey of 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide?
The InChIKey is VFNLQGFWLLNNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)20-8-2-1-5(4-17-8)21(16,18)19/h1-4H,(H2,16,18,19).
What are the key properties of 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide?
6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide has a molecular weight of 338.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5,6-tetrafluorophenyl)sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 46861806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).