5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione

C13H10ClN3O2S — CID 79335892

IUPAC5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione
SMILESCc1cc(Sc2cc3c(cc2Cl)C(=O)C(=O)N3)n(C)n1
InChIInChI=1S/C13H10ClN3O2S/c1-6-3-11(17(2)16-6)20-10-5-9-7(4-8(10)14)12(18)13(19)15-9/h3-5H,1-2H3,(H,15,18,19)
InChIKeyRPIFEPAGVGIQSJ-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.67
Rot. Bonds2

About 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione

5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione (PubChem CID 79335892) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione
PubChem CID79335892
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione
SMILESCc1cc(Sc2cc3c(cc2Cl)C(=O)C(=O)N3)n(C)n1
InChIInChI=1S/C13H10ClN3O2S/c1-6-3-11(17(2)16-6)20-10-5-9-7(4-8(10)14)12(18)13(19)15-9/h3-5H,1-2H3,(H,15,18,19)
InChIKeyRPIFEPAGVGIQSJ-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-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 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione (CID 79335892) is 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione is Cc1cc(Sc2cc3c(cc2Cl)C(=O)C(=O)N3)n(C)n1.
What is the InChIKey of 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione?
The InChIKey is RPIFEPAGVGIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-6-3-11(17(2)16-6)20-10-5-9-7(4-8(10)14)12(18)13(19)15-9/h3-5H,1-2H3,(H,15,18,19).
What are the key properties of 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione?
5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione has a molecular weight of 307.76 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 79335892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).