6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione

C15H9Cl2NO2S — CID 81301729

IUPAC6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(Sc3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C15H9Cl2NO2S/c1-18-12-7-9(3-4-10(12)14(19)15(18)20)21-13-6-8(16)2-5-11(13)17/h2-7H,1H3
InChIKeyGPSVXOPLTHGEJU-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds2

About 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione

6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione (PubChem CID 81301729) has the molecular formula C15H9Cl2NO2S and a molecular weight of 338.22 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione
PubChem CID81301729
Molecular FormulaC15H9Cl2NO2S
Molecular Weight338.22 g/mol
Exact Mass336.97
IUPAC Name6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(Sc3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C15H9Cl2NO2S/c1-18-12-7-9(3-4-10(12)14(19)15(18)20)21-13-6-8(16)2-5-11(13)17/h2-7H,1H3
InChIKeyGPSVXOPLTHGEJU-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione (CID 81301729) is 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione is CN1C(=O)C(=O)c2ccc(Sc3cc(Cl)ccc3Cl)cc21.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione?
The InChIKey is GPSVXOPLTHGEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2S/c1-18-12-7-9(3-4-10(12)14(19)15(18)20)21-13-6-8(16)2-5-11(13)17/h2-7H,1H3.
What are the key properties of 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione?
6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione has a molecular weight of 338.22 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione is sourced from PubChem (CID 81301729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).