(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite

C8H6NO5S- — CID 154525774

IUPAC(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite
SMILESO=C1c2ccccc2C(O)N1OS(=O)[O-]
InChIInChI=1S/C8H7NO5S/c10-7-5-3-1-2-4-6(5)8(11)9(7)14-15(12)13/h1-4,7,10H,(H,12,13)/p-1
InChIKeyBVACYZABBRDHFU-UHFFFAOYSA-M
MW228.21 g/mol
LogP-0.14
Rot. Bonds2

About (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite

(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite (PubChem CID 154525774) has the molecular formula C8H6NO5S- and a molecular weight of 228.21 g/mol. Its IUPAC name is (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite.

Molecular Properties

Compound Name(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite
PubChem CID154525774
Molecular FormulaC8H6NO5S-
Molecular Weight228.21 g/mol
Exact Mass228.00
IUPAC Name(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite
SMILESO=C1c2ccccc2C(O)N1OS(=O)[O-]
InChIInChI=1S/C8H7NO5S/c10-7-5-3-1-2-4-6(5)8(11)9(7)14-15(12)13/h1-4,7,10H,(H,12,13)/p-1
InChIKeyBVACYZABBRDHFU-UHFFFAOYSA-M
XLogP-0.14
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite?
The IUPAC name of (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite (CID 154525774) is (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite.
What is the SMILES notation for (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite?
The canonical SMILES for (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite is O=C1c2ccccc2C(O)N1OS(=O)[O-].
What is the InChIKey of (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite?
The InChIKey is BVACYZABBRDHFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO5S/c10-7-5-3-1-2-4-6(5)8(11)9(7)14-15(12)13/h1-4,7,10H,(H,12,13)/p-1.
What are the key properties of (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite?
(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite has a molecular weight of 228.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite is sourced from PubChem (CID 154525774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).