5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione

C15H11ClN2O2S — CID 102925057

IUPAC5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1cc(C)nc(Sc2cc3c(cc2Cl)C(=O)C(=O)N3)c1
InChIInChI=1S/C15H11ClN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyVMFRASZABNPFME-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.64
Rot. Bonds2

About 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione

5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 102925057) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
PubChem CID102925057
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1cc(C)nc(Sc2cc3c(cc2Cl)C(=O)C(=O)N3)c1
InChIInChI=1S/C15H11ClN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyVMFRASZABNPFME-UHFFFAOYSA-N
XLogP3.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione with MolForge

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Related Compounds

6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 80758479
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 80758570
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 102925059
6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
CID 64373839
6-[(3-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
CID 64374443
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-chloro-1H-indole-2,3-dione
CID 79335826
5-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-indole-2,3-dione
CID 79335892
6-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-1H-indole-2,3-dione
CID 79335893
5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
CID 79335961
5-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
CID 79336027
5-chloro-6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione
CID 79336305
5-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 79336515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione (CID 102925057) is 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione is Cc1cc(C)nc(Sc2cc3c(cc2Cl)C(=O)C(=O)N3)c1.
What is the InChIKey of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is VMFRASZABNPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 318.79 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 102925057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).