2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid

C20H15NO4S — CID 11326018

IUPAC2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid
SMILESO=C1Nc2ccc(S(=O)(=O)O)cc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NO4S/c22-19-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17-13-16(26(23,24)25)11-12-18(17)21-19/h1-13H,(H,21,22)(H,23,24,25)
InChIKeyPFKHCSFZVGIRFJ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.22
Rot. Bonds3

About 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid

2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid (PubChem CID 11326018) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid.

Molecular Properties

Compound Name2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid
PubChem CID11326018
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid
SMILESO=C1Nc2ccc(S(=O)(=O)O)cc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NO4S/c22-19-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17-13-16(26(23,24)25)11-12-18(17)21-19/h1-13H,(H,21,22)(H,23,24,25)
InChIKeyPFKHCSFZVGIRFJ-UHFFFAOYSA-N
XLogP3.22
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.22
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-3,3-diphenyl-1H-indole-5-sulfonic acid?
The IUPAC name of 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid (CID 11326018) is 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid.
What is the SMILES notation for 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid?
The canonical SMILES for 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid is O=C1Nc2ccc(S(=O)(=O)O)cc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid?
The InChIKey is PFKHCSFZVGIRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c22-19-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17-13-16(26(23,24)25)11-12-18(17)21-19/h1-13H,(H,21,22)(H,23,24,25).
What are the key properties of 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid?
2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid has a molecular weight of 365.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,3-diphenyl-1H-indole-5-sulfonic acid is sourced from PubChem (CID 11326018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).