5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one

C14H8BrF2NO2S — CID 79344171

IUPAC5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccc(F)c(F)c3)c(Br)cc2C1O
InChIInChI=1S/C14H8BrF2NO2S/c15-8-4-7-11(18-14(20)13(7)19)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5,13,19H,(H,18,20)
InChIKeyNUQWOEKEYWBQBD-UHFFFAOYSA-N
MW372.19 g/mol
LogP3.86
Rot. Bonds2

About 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one

5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79344171) has the molecular formula C14H8BrF2NO2S and a molecular weight of 372.19 g/mol. Its IUPAC name is 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79344171
Molecular FormulaC14H8BrF2NO2S
Molecular Weight372.19 g/mol
Exact Mass370.94
IUPAC Name5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccc(F)c(F)c3)c(Br)cc2C1O
InChIInChI=1S/C14H8BrF2NO2S/c15-8-4-7-11(18-14(20)13(7)19)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5,13,19H,(H,18,20)
InChIKeyNUQWOEKEYWBQBD-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (CID 79344171) is 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccc(F)c(F)c3)c(Br)cc2C1O.
What is the InChIKey of 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is NUQWOEKEYWBQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO2S/c15-8-4-7-11(18-14(20)13(7)19)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5,13,19H,(H,18,20).
What are the key properties of 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 372.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).