2-oxo-1H-benzo[cd]indole-6-sulfonic acid

C11H7NO4S — CID 7013234

IUPAC2-oxo-1H-benzo[cd]indole-6-sulfonic acid
SMILESO=C1Nc2ccc(S(=O)(=O)O)c3cccc1c23
InChIInChI=1S/C11H7NO4S/c13-11-7-3-1-2-6-9(17(14,15)16)5-4-8(12-11)10(6)7/h1-5H,(H,12,13)(H,14,15,16)
InChIKeyFDLCCKWHHXEWGC-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.65
Rot. Bonds1

About 2-oxo-1H-benzo[cd]indole-6-sulfonic acid

2-oxo-1H-benzo[cd]indole-6-sulfonic acid (PubChem CID 7013234) has the molecular formula C11H7NO4S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-oxo-1H-benzo[cd]indole-6-sulfonic acid.

Molecular Properties

Compound Name2-oxo-1H-benzo[cd]indole-6-sulfonic acid
PubChem CID7013234
Molecular FormulaC11H7NO4S
Molecular Weight249.25 g/mol
Exact Mass249.01
IUPAC Name2-oxo-1H-benzo[cd]indole-6-sulfonic acid
SMILESO=C1Nc2ccc(S(=O)(=O)O)c3cccc1c23
InChIInChI=1S/C11H7NO4S/c13-11-7-3-1-2-6-9(17(14,15)16)5-4-8(12-11)10(6)7/h1-5H,(H,12,13)(H,14,15,16)
InChIKeyFDLCCKWHHXEWGC-UHFFFAOYSA-N
XLogP1.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-benzo[cd]indole-6-sulfonic acid?
The IUPAC name of 2-oxo-1H-benzo[cd]indole-6-sulfonic acid (CID 7013234) is 2-oxo-1H-benzo[cd]indole-6-sulfonic acid.
What is the SMILES notation for 2-oxo-1H-benzo[cd]indole-6-sulfonic acid?
The canonical SMILES for 2-oxo-1H-benzo[cd]indole-6-sulfonic acid is O=C1Nc2ccc(S(=O)(=O)O)c3cccc1c23.
What is the InChIKey of 2-oxo-1H-benzo[cd]indole-6-sulfonic acid?
The InChIKey is FDLCCKWHHXEWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4S/c13-11-7-3-1-2-6-9(17(14,15)16)5-4-8(12-11)10(6)7/h1-5H,(H,12,13)(H,14,15,16).
What are the key properties of 2-oxo-1H-benzo[cd]indole-6-sulfonic acid?
2-oxo-1H-benzo[cd]indole-6-sulfonic acid has a molecular weight of 249.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-benzo[cd]indole-6-sulfonic acid is sourced from PubChem (CID 7013234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).