(2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate

C8H7NO5S — CID 157010389

IUPAC(2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate
SMILESO=C1Nc2ccccc2C1OS(=O)(=O)O
InChIInChI=1S/C8H7NO5S/c10-8-7(14-15(11,12)13)5-3-1-2-4-6(5)9-8/h1-4,7H,(H,9,10)(H,11,12,13)
InChIKeyHLYCAHONCGGOOJ-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.50
Rot. Bonds2

About (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate

(2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate (PubChem CID 157010389) has the molecular formula C8H7NO5S and a molecular weight of 229.21 g/mol. Its IUPAC name is (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate.

Molecular Properties

Compound Name(2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate
PubChem CID157010389
Molecular FormulaC8H7NO5S
Molecular Weight229.21 g/mol
Exact Mass229.00
IUPAC Name(2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate
SMILESO=C1Nc2ccccc2C1OS(=O)(=O)O
InChIInChI=1S/C8H7NO5S/c10-8-7(14-15(11,12)13)5-3-1-2-4-6(5)9-8/h1-4,7H,(H,9,10)(H,11,12,13)
InChIKeyHLYCAHONCGGOOJ-UHFFFAOYSA-N
XLogP0.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate?
The IUPAC name of (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate (CID 157010389) is (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate.
What is the SMILES notation for (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate?
The canonical SMILES for (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate is O=C1Nc2ccccc2C1OS(=O)(=O)O.
What is the InChIKey of (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate?
The InChIKey is HLYCAHONCGGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5S/c10-8-7(14-15(11,12)13)5-3-1-2-4-6(5)9-8/h1-4,7H,(H,9,10)(H,11,12,13).
What are the key properties of (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate?
(2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate has a molecular weight of 229.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate is sourced from PubChem (CID 157010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).