5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one

C14H9ClFNO2S — CID 79336076

IUPAC5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccc(F)cc3)c(Cl)cc2C1O
InChIInChI=1S/C14H9ClFNO2S/c15-10-5-9-11(17-14(19)13(9)18)6-12(10)20-8-3-1-7(16)2-4-8/h1-6,13,18H,(H,17,19)
InChIKeyKXELYNVNPYXYKA-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one

5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79336076) has the molecular formula C14H9ClFNO2S and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79336076
Molecular FormulaC14H9ClFNO2S
Molecular Weight309.75 g/mol
Exact Mass309.00
IUPAC Name5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccc(F)cc3)c(Cl)cc2C1O
InChIInChI=1S/C14H9ClFNO2S/c15-10-5-9-11(17-14(19)13(9)18)6-12(10)20-8-3-1-7(16)2-4-8/h1-6,13,18H,(H,17,19)
InChIKeyKXELYNVNPYXYKA-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (CID 79336076) is 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccc(F)cc3)c(Cl)cc2C1O.
What is the InChIKey of 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is KXELYNVNPYXYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO2S/c15-10-5-9-11(17-14(19)13(9)18)6-12(10)20-8-3-1-7(16)2-4-8/h1-6,13,18H,(H,17,19).
What are the key properties of 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 309.75 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).