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

C14H8BrF2NO2S — CID 79344367

IUPAC5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3cc(F)ccc3F)c(Br)cc2C1O
InChIInChI=1S/C14H8BrF2NO2S/c15-8-4-7-10(18-14(20)13(7)19)5-11(8)21-12-3-6(16)1-2-9(12)17/h1-5,13,19H,(H,18,20)
InChIKeyLJXLQWHBTLXQGO-UHFFFAOYSA-N
MW372.19 g/mol
LogP3.86
Rot. Bonds2

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

5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79344367) has the molecular formula C14H8BrF2NO2S and a molecular weight of 372.19 g/mol. Its IUPAC name is 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79344367
Molecular FormulaC14H8BrF2NO2S
Molecular Weight372.19 g/mol
Exact Mass370.94
IUPAC Name5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3cc(F)ccc3F)c(Br)cc2C1O
InChIInChI=1S/C14H8BrF2NO2S/c15-8-4-7-10(18-14(20)13(7)19)5-11(8)21-12-3-6(16)1-2-9(12)17/h1-5,13,19H,(H,18,20)
InChIKeyLJXLQWHBTLXQGO-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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Related Compounds

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CID 61359887
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CID 63813519
CID 63813519
CID 63814587
CID 63814587
CID 63814627
CID 63814627
CID 63814774
CID 63814774
CID 63835024
CID 63835024
CID 71611302
CID 71611302
CID 79335852
CID 79335852
CID 79336814
CID 79336814
CID 79344171
CID 79344171
CID 79344366
CID 79344366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (CID 79344367) is 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3cc(F)ccc3F)c(Br)cc2C1O.
What is the InChIKey of 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is LJXLQWHBTLXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO2S/c15-8-4-7-10(18-14(20)13(7)19)5-11(8)21-12-3-6(16)1-2-9(12)17/h1-5,13,19H,(H,18,20).
What are the key properties of 5-bromo-6-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-(2,5-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-(2,5-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).