6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione

C14H9ClN2O2S — CID 81309212

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(Sc3ccc(Cl)cn3)cc21
InChIInChI=1S/C14H9ClN2O2S/c1-17-11-6-9(3-4-10(11)13(18)14(17)19)20-12-5-2-8(15)7-16-12/h2-7H,1H3
InChIKeyOXBLMHUVKAHVCM-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.05
Rot. Bonds2

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione

6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione (PubChem CID 81309212) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione
PubChem CID81309212
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(Sc3ccc(Cl)cn3)cc21
InChIInChI=1S/C14H9ClN2O2S/c1-17-11-6-9(3-4-10(11)13(18)14(17)19)20-12-5-2-8(15)7-16-12/h2-7H,1H3
InChIKeyOXBLMHUVKAHVCM-UHFFFAOYSA-N
XLogP3.05
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-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 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione (CID 81309212) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione is CN1C(=O)C(=O)c2ccc(Sc3ccc(Cl)cn3)cc21.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione?
The InChIKey is OXBLMHUVKAHVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c1-17-11-6-9(3-4-10(11)13(18)14(17)19)20-12-5-2-8(15)7-16-12/h2-7H,1H3.
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione?
6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione has a molecular weight of 304.76 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione is sourced from PubChem (CID 81309212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).