6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one

C14H9F2NO2S — CID 63835024

IUPAC6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3cc(F)ccc3F)ccc2C1O
InChIInChI=1S/C14H9F2NO2S/c15-7-1-4-10(16)12(5-7)20-8-2-3-9-11(6-8)17-14(19)13(9)18/h1-6,13,18H,(H,17,19)
InChIKeyTZPJGWHXTNYCKU-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.10
Rot. Bonds2

About 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one

6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 63835024) has the molecular formula C14H9F2NO2S and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID63835024
Molecular FormulaC14H9F2NO2S
Molecular Weight293.29 g/mol
Exact Mass293.03
IUPAC Name6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3cc(F)ccc3F)ccc2C1O
InChIInChI=1S/C14H9F2NO2S/c15-7-1-4-10(16)12(5-7)20-8-2-3-9-11(6-8)17-14(19)13(9)18/h1-6,13,18H,(H,17,19)
InChIKeyTZPJGWHXTNYCKU-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (CID 63835024) is 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3cc(F)ccc3F)ccc2C1O.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is TZPJGWHXTNYCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2S/c15-7-1-4-10(16)12(5-7)20-8-2-3-9-11(6-8)17-14(19)13(9)18/h1-6,13,18H,(H,17,19).
What are the key properties of 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 293.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 63835024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).