(3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid

C8H7NO5S — CID 95735368

IUPAC(3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid
SMILESO=C1Nc2c(cccc2S(=O)(=O)O)[C@H]1O
InChIInChI=1S/C8H7NO5S/c10-7-4-2-1-3-5(15(12,13)14)6(4)9-8(7)11/h1-3,7,10H,(H,9,11)(H,12,13,14)/t7-/m1/s1
InChIKeyWQDGAACHKOSSMZ-SSDOTTSWSA-N
MW229.21 g/mol
LogP-0.08
Rot. Bonds1

About (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid

(3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid (PubChem CID 95735368) has the molecular formula C8H7NO5S and a molecular weight of 229.21 g/mol. Its IUPAC name is (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid
PubChem CID95735368
Molecular FormulaC8H7NO5S
Molecular Weight229.21 g/mol
Exact Mass229.00
IUPAC Name(3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid
SMILESO=C1Nc2c(cccc2S(=O)(=O)O)[C@H]1O
InChIInChI=1S/C8H7NO5S/c10-7-4-2-1-3-5(15(12,13)14)6(4)9-8(7)11/h1-3,7,10H,(H,9,11)(H,12,13,14)/t7-/m1/s1
InChIKeyWQDGAACHKOSSMZ-SSDOTTSWSA-N
XLogP-0.08
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
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dibenzothiophene-1,9-disulfonic acid
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8-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]naphthalene-1-sulfonic acid
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CID 87729944
CID 87729944
2-(5-hydroxy-2-imino-4-oxooxolan-3-yl)benzenesulfonic acid
CID 71370937
4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one
CID 61470172
naphthalene-1-sulfonic acid
CID 158712346

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid?
The IUPAC name of (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid (CID 95735368) is (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid.
What is the SMILES notation for (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid?
The canonical SMILES for (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid is O=C1Nc2c(cccc2S(=O)(=O)O)[C@H]1O.
What is the InChIKey of (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid?
The InChIKey is WQDGAACHKOSSMZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7NO5S/c10-7-4-2-1-3-5(15(12,13)14)6(4)9-8(7)11/h1-3,7,10H,(H,9,11)(H,12,13,14)/t7-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid?
(3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid has a molecular weight of 229.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid is sourced from PubChem (CID 95735368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).