1-(4-methylphenyl)sulfanylindole-2,3-dione

C15H11NO2S — CID 71520975

IUPAC1-(4-methylphenyl)sulfanylindole-2,3-dione
SMILESCc1ccc(SN2C(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C15H11NO2S/c1-10-6-8-11(9-7-10)19-16-13-5-3-2-4-12(13)14(17)15(16)18/h2-9H,1H3
InChIKeyZCGNEPFJYXMRHW-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-methylphenyl)sulfanylindole-2,3-dione

1-(4-methylphenyl)sulfanylindole-2,3-dione (PubChem CID 71520975) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanylindole-2,3-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanylindole-2,3-dione
PubChem CID71520975
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name1-(4-methylphenyl)sulfanylindole-2,3-dione
SMILESCc1ccc(SN2C(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C15H11NO2S/c1-10-6-8-11(9-7-10)19-16-13-5-3-2-4-12(13)14(17)15(16)18/h2-9H,1H3
InChIKeyZCGNEPFJYXMRHW-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanylindole-2,3-dione?
The IUPAC name of 1-(4-methylphenyl)sulfanylindole-2,3-dione (CID 71520975) is 1-(4-methylphenyl)sulfanylindole-2,3-dione.
What is the SMILES notation for 1-(4-methylphenyl)sulfanylindole-2,3-dione?
The canonical SMILES for 1-(4-methylphenyl)sulfanylindole-2,3-dione is Cc1ccc(SN2C(=O)C(=O)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanylindole-2,3-dione?
The InChIKey is ZCGNEPFJYXMRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-10-6-8-11(9-7-10)19-16-13-5-3-2-4-12(13)14(17)15(16)18/h2-9H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfanylindole-2,3-dione?
1-(4-methylphenyl)sulfanylindole-2,3-dione has a molecular weight of 269.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanylindole-2,3-dione is sourced from PubChem (CID 71520975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).