1H-indole-2-sulfonic acid

C8H7NO3S — CID 54095836

IUPAC1H-indole-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C8H7NO3S/c10-13(11,12)8-5-6-3-1-2-4-7(6)9-8/h1-5,9H,(H,10,11,12)
InChIKeyMXALRLXMXCYNGF-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.41
Rot. Bonds1

About 1H-indole-2-sulfonic acid

1H-indole-2-sulfonic acid (PubChem CID 54095836) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 1H-indole-2-sulfonic acid.

Molecular Properties

Compound Name1H-indole-2-sulfonic acid
PubChem CID54095836
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name1H-indole-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C8H7NO3S/c10-13(11,12)8-5-6-3-1-2-4-7(6)9-8/h1-5,9H,(H,10,11,12)
InChIKeyMXALRLXMXCYNGF-UHFFFAOYSA-N
XLogP1.41
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1H-indole-2-sulfonic acid?
The IUPAC name of 1H-indole-2-sulfonic acid (CID 54095836) is 1H-indole-2-sulfonic acid.
What is the SMILES notation for 1H-indole-2-sulfonic acid?
The canonical SMILES for 1H-indole-2-sulfonic acid is O=S(=O)(O)c1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indole-2-sulfonic acid?
The InChIKey is MXALRLXMXCYNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c10-13(11,12)8-5-6-3-1-2-4-7(6)9-8/h1-5,9H,(H,10,11,12).
What are the key properties of 1H-indole-2-sulfonic acid?
1H-indole-2-sulfonic acid has a molecular weight of 197.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-2-sulfonic acid is sourced from PubChem (CID 54095836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).