3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid

C10H11NO4S — CID 146026570

IUPAC3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid
SMILESO=S(=O)(O)c1[nH]c2ccccc2c1CCO
InChIInChI=1S/C10H11NO4S/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)16(13,14)15/h1-4,11-12H,5-6H2,(H,13,14,15)
InChIKeyZYURVYKNOZACDY-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.95
Rot. Bonds3

About 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid

3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid (PubChem CID 146026570) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid
PubChem CID146026570
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid
SMILESO=S(=O)(O)c1[nH]c2ccccc2c1CCO
InChIInChI=1S/C10H11NO4S/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)16(13,14)15/h1-4,11-12H,5-6H2,(H,13,14,15)
InChIKeyZYURVYKNOZACDY-UHFFFAOYSA-N
XLogP0.95
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid?
The IUPAC name of 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid (CID 146026570) is 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid?
The canonical SMILES for 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid is O=S(=O)(O)c1[nH]c2ccccc2c1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid?
The InChIKey is ZYURVYKNOZACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)16(13,14)15/h1-4,11-12H,5-6H2,(H,13,14,15).
What are the key properties of 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid?
3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid has a molecular weight of 241.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid is sourced from PubChem (CID 146026570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).