4-pyridin-4-yloxybenzenesulfonic acid

C11H9NO4S — CID 2760497

IUPAC4-pyridin-4-yloxybenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C11H9NO4S/c13-17(14,15)11-3-1-9(2-4-11)16-10-5-7-12-8-6-10/h1-8H,(H,13,14,15)
InChIKeyDXVIGUWDUVUVMI-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.12
Rot. Bonds3

About 4-pyridin-4-yloxybenzenesulfonic acid

4-pyridin-4-yloxybenzenesulfonic acid (PubChem CID 2760497) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-pyridin-4-yloxybenzenesulfonic acid.

Molecular Properties

Compound Name4-pyridin-4-yloxybenzenesulfonic acid
PubChem CID2760497
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name4-pyridin-4-yloxybenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C11H9NO4S/c13-17(14,15)11-3-1-9(2-4-11)16-10-5-7-12-8-6-10/h1-8H,(H,13,14,15)
InChIKeyDXVIGUWDUVUVMI-UHFFFAOYSA-N
XLogP2.12
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-pyridin-4-yloxybenzenesulfonic acid 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-pyridin-4-yloxybenzenesulfonic acid?
The IUPAC name of 4-pyridin-4-yloxybenzenesulfonic acid (CID 2760497) is 4-pyridin-4-yloxybenzenesulfonic acid.
What is the SMILES notation for 4-pyridin-4-yloxybenzenesulfonic acid?
The canonical SMILES for 4-pyridin-4-yloxybenzenesulfonic acid is O=S(=O)(O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 4-pyridin-4-yloxybenzenesulfonic acid?
The InChIKey is DXVIGUWDUVUVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-17(14,15)11-3-1-9(2-4-11)16-10-5-7-12-8-6-10/h1-8H,(H,13,14,15).
What are the key properties of 4-pyridin-4-yloxybenzenesulfonic acid?
4-pyridin-4-yloxybenzenesulfonic acid has a molecular weight of 251.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yloxybenzenesulfonic acid is sourced from PubChem (CID 2760497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).