5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid

C8H9IO7S — CID 23357545

IUPAC5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid
SMILESO=I(=O)c1ccc(OCCO)cc1S(=O)(=O)O
InChIInChI=1S/C8H9IO7S/c10-3-4-16-6-1-2-7(9(11)12)8(5-6)17(13,14)15/h1-2,5,10H,3-4H2,(H,13,14,15)
InChIKeyXIWFPJBGRQCYLF-UHFFFAOYSA-N
MW376.12 g/mol
LogP0.67
Rot. Bonds5

About 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid

5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid (PubChem CID 23357545) has the molecular formula C8H9IO7S and a molecular weight of 376.12 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid
PubChem CID23357545
Molecular FormulaC8H9IO7S
Molecular Weight376.12 g/mol
Exact Mass375.91
IUPAC Name5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid
SMILESO=I(=O)c1ccc(OCCO)cc1S(=O)(=O)O
InChIInChI=1S/C8H9IO7S/c10-3-4-16-6-1-2-7(9(11)12)8(5-6)17(13,14)15/h1-2,5,10H,3-4H2,(H,13,14,15)
InChIKeyXIWFPJBGRQCYLF-UHFFFAOYSA-N
XLogP0.67
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic 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 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid?
The IUPAC name of 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid (CID 23357545) is 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid.
What is the SMILES notation for 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid?
The canonical SMILES for 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid is O=I(=O)c1ccc(OCCO)cc1S(=O)(=O)O.
What is the InChIKey of 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid?
The InChIKey is XIWFPJBGRQCYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO7S/c10-3-4-16-6-1-2-7(9(11)12)8(5-6)17(13,14)15/h1-2,5,10H,3-4H2,(H,13,14,15).
What are the key properties of 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid?
5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid has a molecular weight of 376.12 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-2-iodylbenzenesulfonic acid is sourced from PubChem (CID 23357545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).