cyclopenta-2,4-diene-1-sulfonic acid

C5H6O3S — CID 11986947

IUPACcyclopenta-2,4-diene-1-sulfonic acid
SMILESO=S(=O)(O)C1C=CC=C1
InChIInChI=1S/C5H6O3S/c6-9(7,8)5-3-1-2-4-5/h1-5H,(H,6,7,8)
InChIKeyMXLWZKBHGUYCKB-UHFFFAOYSA-N
MW146.17 g/mol
LogP0.37
Rot. Bonds1

About cyclopenta-2,4-diene-1-sulfonic acid

cyclopenta-2,4-diene-1-sulfonic acid (PubChem CID 11986947) has the molecular formula C5H6O3S and a molecular weight of 146.17 g/mol. Its IUPAC name is cyclopenta-2,4-diene-1-sulfonic acid.

Molecular Properties

Compound Namecyclopenta-2,4-diene-1-sulfonic acid
PubChem CID11986947
Molecular FormulaC5H6O3S
Molecular Weight146.17 g/mol
Exact Mass146.00
IUPAC Namecyclopenta-2,4-diene-1-sulfonic acid
SMILESO=S(=O)(O)C1C=CC=C1
InChIInChI=1S/C5H6O3S/c6-9(7,8)5-3-1-2-4-5/h1-5H,(H,6,7,8)
InChIKeyMXLWZKBHGUYCKB-UHFFFAOYSA-N
XLogP0.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-diene-1-sulfonic 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 cyclopenta-2,4-diene-1-sulfonic acid?
The IUPAC name of cyclopenta-2,4-diene-1-sulfonic acid (CID 11986947) is cyclopenta-2,4-diene-1-sulfonic acid.
What is the SMILES notation for cyclopenta-2,4-diene-1-sulfonic acid?
The canonical SMILES for cyclopenta-2,4-diene-1-sulfonic acid is O=S(=O)(O)C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-diene-1-sulfonic acid?
The InChIKey is MXLWZKBHGUYCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3S/c6-9(7,8)5-3-1-2-4-5/h1-5H,(H,6,7,8).
What are the key properties of cyclopenta-2,4-diene-1-sulfonic acid?
cyclopenta-2,4-diene-1-sulfonic acid has a molecular weight of 146.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-diene-1-sulfonic acid is sourced from PubChem (CID 11986947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).