(2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid

C16H12N2O5S — CID 86291618

IUPAC(2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid
SMILESO=C1Nc2ccccc2/C1=C1\C(O)c2ccccc2N1S(=O)(=O)O
InChIInChI=1S/C16H12N2O5S/c19-15-10-6-2-4-8-12(10)18(24(21,22)23)14(15)13-9-5-1-3-7-11(9)17-16(13)20/h1-8,15,19H,(H,17,20)(H,21,22,23)/b14-13-
InChIKeyHJVOMDFCIJXHIS-YPKPFQOOSA-N
MW344.35 g/mol
LogP1.71
Rot. Bonds1

About (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid

(2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid (PubChem CID 86291618) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid.

Molecular Properties

Compound Name(2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid
PubChem CID86291618
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name(2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid
SMILESO=C1Nc2ccccc2/C1=C1\C(O)c2ccccc2N1S(=O)(=O)O
InChIInChI=1S/C16H12N2O5S/c19-15-10-6-2-4-8-12(10)18(24(21,22)23)14(15)13-9-5-1-3-7-11(9)17-16(13)20/h1-8,15,19H,(H,17,20)(H,21,22,23)/b14-13-
InChIKeyHJVOMDFCIJXHIS-YPKPFQOOSA-N
XLogP1.71
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2Z)-3-hydroxy-2-(5-hydroxy-2-oxo-1H-indol-3-ylidene)-3H-indol-1-yl]-4-methylcyclopentane-1-sulfonic acid
CID 86292619
2-[(2Z)-3-hydroxy-2-(5-hydroxy-2-oxo-1H-indol-3-ylidene)-3H-indol-1-yl]-5-methylcyclopentane-1-sulfonic acid
CID 86292813
3-[(2Z)-3-hydroxy-2-(5-hydroxy-2-oxo-1H-indol-3-ylidene)-3H-indol-1-yl]-1-methylcyclopentane-1-sulfonic acid
CID 86292621
(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 92852371
(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 71268355
copper;1H-indole-2,3-dione
CID 70626411
1H-quinoline-2,3,4-trione;hydrate
CID 91665944
(3aR,7aR)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-3a,7a-dihydroisoindole-1,3-dione
CID 135583473
(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
CID 148819024
(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
CID 10353181
(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl) methanesulfonate
CID 54022342
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid?
The IUPAC name of (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid (CID 86291618) is (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid.
What is the SMILES notation for (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid?
The canonical SMILES for (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid is O=C1Nc2ccccc2/C1=C1\C(O)c2ccccc2N1S(=O)(=O)O.
What is the InChIKey of (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid?
The InChIKey is HJVOMDFCIJXHIS-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H12N2O5S/c19-15-10-6-2-4-8-12(10)18(24(21,22)23)14(15)13-9-5-1-3-7-11(9)17-16(13)20/h1-8,15,19H,(H,17,20)(H,21,22,23)/b14-13-.
What are the key properties of (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid?
(2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid has a molecular weight of 344.35 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-hydroxy-2-(2-oxo-1H-indol-3-ylidene)-3H-indole-1-sulfonic acid is sourced from PubChem (CID 86291618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).