2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid

C10H9NO6S — CID 71370937

IUPAC2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid
SMILES[H]/N=C1\OC(O)C(=O)C1c1ccccc1S(=O)(=O)O
InChIInChI=1S/C10H9NO6S/c11-9-7(8(12)10(13)17-9)5-3-1-2-4-6(5)18(14,15)16/h1-4,7,10-11,13H,(H,14,15,16)/b11-9-
InChIKeyOCDLNQCQRGALEZ-LUAWRHEFSA-N
MW271.25 g/mol
LogP-0.09
Rot. Bonds2

About 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid

2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid (PubChem CID 71370937) has the molecular formula C10H9NO6S and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid.

Molecular Properties

Compound Name2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid
PubChem CID71370937
Molecular FormulaC10H9NO6S
Molecular Weight271.25 g/mol
Exact Mass271.02
IUPAC Name2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid
SMILES[H]/N=C1\OC(O)C(=O)C1c1ccccc1S(=O)(=O)O
InChIInChI=1S/C10H9NO6S/c11-9-7(8(12)10(13)17-9)5-3-1-2-4-6(5)18(14,15)16/h1-4,7,10-11,13H,(H,14,15,16)/b11-9-
InChIKeyOCDLNQCQRGALEZ-LUAWRHEFSA-N
XLogP-0.09
TPSA124.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid?
The IUPAC name of 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid (CID 71370937) is 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid.
What is the SMILES notation for 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid?
The canonical SMILES for 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid is [H]/N=C1\OC(O)C(=O)C1c1ccccc1S(=O)(=O)O.
What is the InChIKey of 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid?
The InChIKey is OCDLNQCQRGALEZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H9NO6S/c11-9-7(8(12)10(13)17-9)5-3-1-2-4-6(5)18(14,15)16/h1-4,7,10-11,13H,(H,14,15,16)/b11-9-.
What are the key properties of 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid?
2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid has a molecular weight of 271.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid is sourced from PubChem (CID 71370937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).