4H-indole-5-sulfonic acid

C8H7NO3S — CID 141212952

IUPAC4H-indole-5-sulfonic acid
SMILESO=S(=O)(O)C1=CC=C2N=CC=C2C1
InChIInChI=1S/C8H7NO3S/c10-13(11,12)7-1-2-8-6(5-7)3-4-9-8/h1-4H,5H2,(H,10,11,12)
InChIKeyNIJAWQLLKHJSJF-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.06
Rot. Bonds1

About 4H-indole-5-sulfonic acid

4H-indole-5-sulfonic acid (PubChem CID 141212952) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 4H-indole-5-sulfonic acid.

Molecular Properties

Compound Name4H-indole-5-sulfonic acid
PubChem CID141212952
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name4H-indole-5-sulfonic acid
SMILESO=S(=O)(O)C1=CC=C2N=CC=C2C1
InChIInChI=1S/C8H7NO3S/c10-13(11,12)7-1-2-8-6(5-7)3-4-9-8/h1-4H,5H2,(H,10,11,12)
InChIKeyNIJAWQLLKHJSJF-UHFFFAOYSA-N
XLogP1.06
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 4H-indole-5-sulfonic acid?
The IUPAC name of 4H-indole-5-sulfonic acid (CID 141212952) is 4H-indole-5-sulfonic acid.
What is the SMILES notation for 4H-indole-5-sulfonic acid?
The canonical SMILES for 4H-indole-5-sulfonic acid is O=S(=O)(O)C1=CC=C2N=CC=C2C1.
What is the InChIKey of 4H-indole-5-sulfonic acid?
The InChIKey is NIJAWQLLKHJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c10-13(11,12)7-1-2-8-6(5-7)3-4-9-8/h1-4H,5H2,(H,10,11,12).
What are the key properties of 4H-indole-5-sulfonic acid?
4H-indole-5-sulfonic acid has a molecular weight of 197.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-indole-5-sulfonic acid is sourced from PubChem (CID 141212952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).