2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid

C16H10N2O5S — CID 3708

IUPAC2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid
SMILESO=C1C(c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)=Nc2ccccc21
InChIInChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,18,20H,(H,21,22,23)
InChIKeyBYYOTMYLPPUWCF-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.44
Rot. Bonds2

About 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid

2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid (PubChem CID 3708) has the molecular formula C16H10N2O5S and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid
PubChem CID3708
Molecular FormulaC16H10N2O5S
Molecular Weight342.33 g/mol
Exact Mass342.03
IUPAC Name2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid
SMILESO=C1C(c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)=Nc2ccccc21
InChIInChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,18,20H,(H,21,22,23)
InChIKeyBYYOTMYLPPUWCF-UHFFFAOYSA-N
XLogP2.44
TPSA119.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid?
The IUPAC name of 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid (CID 3708) is 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid.
What is the SMILES notation for 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid?
The canonical SMILES for 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid is O=C1C(c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)=Nc2ccccc21.
What is the InChIKey of 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid?
The InChIKey is BYYOTMYLPPUWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,18,20H,(H,21,22,23).
What are the key properties of 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid?
2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid has a molecular weight of 342.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid is sourced from PubChem (CID 3708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).