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

C13H6Cl2N2O2S — CID 79335961

IUPAC5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(Cl)cn3)c(Cl)cc2C1=O
InChIInChI=1S/C13H6Cl2N2O2S/c14-6-1-2-11(16-5-6)20-10-4-9-7(3-8(10)15)12(18)13(19)17-9/h1-5H,(H,17,18,19)
InChIKeyKIORJXYRWGGHET-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.67
Rot. Bonds2

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

5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 79335961) has the molecular formula C13H6Cl2N2O2S and a molecular weight of 325.18 g/mol. Its IUPAC name is 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
PubChem CID79335961
Molecular FormulaC13H6Cl2N2O2S
Molecular Weight325.18 g/mol
Exact Mass323.95
IUPAC Name5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(Cl)cn3)c(Cl)cc2C1=O
InChIInChI=1S/C13H6Cl2N2O2S/c14-6-1-2-11(16-5-6)20-10-4-9-7(3-8(10)15)12(18)13(19)17-9/h1-5H,(H,17,18,19)
InChIKeyKIORJXYRWGGHET-UHFFFAOYSA-N
XLogP3.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

(E)-5-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54582782
5-fluoro-6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione
CID 80757953
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 80758295
6-[(5-bromo-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 80758382
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
5-fluoro-6-pyridin-4-ylsulfanyl-1H-indole-2,3-dione
CID 80759003
N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 59788692
5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
CID 67957871
N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3601456
N-(2-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 16230966
(2R)-N-(2-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 25938019

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione (CID 79335961) is 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ccc(Cl)cn3)c(Cl)cc2C1=O.
What is the InChIKey of 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is KIORJXYRWGGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N2O2S/c14-6-1-2-11(16-5-6)20-10-4-9-7(3-8(10)15)12(18)13(19)17-9/h1-5H,(H,17,18,19).
What are the key properties of 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 325.18 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 79335961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).