5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione

C14H7ClFNO2S — CID 79336234

IUPAC5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(F)cc3)c(Cl)cc2C1=O
InChIInChI=1S/C14H7ClFNO2S/c15-10-5-9-11(17-14(19)13(9)18)6-12(10)20-8-3-1-7(16)2-4-8/h1-6H,(H,17,18,19)
InChIKeyWLRUOGCNLKYDQX-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.77
Rot. Bonds2

About 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione

5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione (PubChem CID 79336234) has the molecular formula C14H7ClFNO2S and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione
PubChem CID79336234
Molecular FormulaC14H7ClFNO2S
Molecular Weight307.73 g/mol
Exact Mass306.99
IUPAC Name5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(F)cc3)c(Cl)cc2C1=O
InChIInChI=1S/C14H7ClFNO2S/c15-10-5-9-11(17-14(19)13(9)18)6-12(10)20-8-3-1-7(16)2-4-8/h1-6H,(H,17,18,19)
InChIKeyWLRUOGCNLKYDQX-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
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 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione (CID 79336234) is 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ccc(F)cc3)c(Cl)cc2C1=O.
What is the InChIKey of 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione?
The InChIKey is WLRUOGCNLKYDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO2S/c15-10-5-9-11(17-14(19)13(9)18)6-12(10)20-8-3-1-7(16)2-4-8/h1-6H,(H,17,18,19).
What are the key properties of 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione?
5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione has a molecular weight of 307.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-fluorophenyl)sulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 79336234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).