1-phenylsulfanylindole-2,3-dione

C14H9NO2S — CID 13096809

IUPAC1-phenylsulfanylindole-2,3-dione
SMILESO=C1C(=O)N(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C14H9NO2S/c16-13-11-8-4-5-9-12(11)15(14(13)17)18-10-6-2-1-3-7-10/h1-9H
InChIKeyAOSJSCNKHOWBAE-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.92
Rot. Bonds2

About 1-phenylsulfanylindole-2,3-dione

1-phenylsulfanylindole-2,3-dione (PubChem CID 13096809) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-phenylsulfanylindole-2,3-dione.

Molecular Properties

Compound Name1-phenylsulfanylindole-2,3-dione
PubChem CID13096809
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name1-phenylsulfanylindole-2,3-dione
SMILESO=C1C(=O)N(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C14H9NO2S/c16-13-11-8-4-5-9-12(11)15(14(13)17)18-10-6-2-1-3-7-10/h1-9H
InChIKeyAOSJSCNKHOWBAE-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenylsulfanylindole-2,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylindole-2,3-dione?
The IUPAC name of 1-phenylsulfanylindole-2,3-dione (CID 13096809) is 1-phenylsulfanylindole-2,3-dione.
What is the SMILES notation for 1-phenylsulfanylindole-2,3-dione?
The canonical SMILES for 1-phenylsulfanylindole-2,3-dione is O=C1C(=O)N(Sc2ccccc2)c2ccccc21.
What is the InChIKey of 1-phenylsulfanylindole-2,3-dione?
The InChIKey is AOSJSCNKHOWBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-13-11-8-4-5-9-12(11)15(14(13)17)18-10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-phenylsulfanylindole-2,3-dione?
1-phenylsulfanylindole-2,3-dione has a molecular weight of 255.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylindole-2,3-dione is sourced from PubChem (CID 13096809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).