2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride

C8H6ClNO5S — CID 87793086

IUPAC2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
SMILESCl.O=C1Nc2ccc(S(=O)(=O)O)cc2C1=O
InChIInChI=1S/C8H5NO5S.ClH/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;/h1-3H,(H,9,10,11)(H,12,13,14);1H
InChIKeyPXAGFJUXZQNCIC-UHFFFAOYSA-N
MW263.66 g/mol
LogP0.49
Rot. Bonds1

About 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride

2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride (PubChem CID 87793086) has the molecular formula C8H6ClNO5S and a molecular weight of 263.66 g/mol. Its IUPAC name is 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
PubChem CID87793086
Molecular FormulaC8H6ClNO5S
Molecular Weight263.66 g/mol
Exact Mass262.97
IUPAC Name2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
SMILESCl.O=C1Nc2ccc(S(=O)(=O)O)cc2C1=O
InChIInChI=1S/C8H5NO5S.ClH/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;/h1-3H,(H,9,10,11)(H,12,13,14);1H
InChIKeyPXAGFJUXZQNCIC-UHFFFAOYSA-N
XLogP0.49
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-diazo-2,3-dioxo-1H-indole-5-sulfonamide
CID 122707169
5-amino-1H-indole-2,3-dione;hydrochloride
CID 133055116
molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
CID 156842363
CID 88931083
CID 88931083
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione;2,2,2-trifluoroacetic acid
CID 175455244
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
CID 5115250
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990
sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indene-5-sulfonate
CID 157420375
9-methylidenefluorene-2,7-disulfonic acid
CID 130291005
3-[(3-ethylazulen-1-yl)methylidene]-2-oxo-1H-indole-5-sulfonic acid
CID 87504991

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride?
The IUPAC name of 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride (CID 87793086) is 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride.
What is the SMILES notation for 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride?
The canonical SMILES for 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride is Cl.O=C1Nc2ccc(S(=O)(=O)O)cc2C1=O.
What is the InChIKey of 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride?
The InChIKey is PXAGFJUXZQNCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO5S.ClH/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;/h1-3H,(H,9,10,11)(H,12,13,14);1H.
What are the key properties of 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride?
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride has a molecular weight of 263.66 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride is sourced from PubChem (CID 87793086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).