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

C14H9BrFNO2S — CID 79336814

IUPAC5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccc3F)c(Br)cc2C1O
InChIInChI=1S/C14H9BrFNO2S/c15-8-5-7-10(17-14(19)13(7)18)6-12(8)20-11-4-2-1-3-9(11)16/h1-6,13,18H,(H,17,19)
InChIKeyNCELVWVHZYFSCS-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.72
Rot. Bonds2

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

5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79336814) has the molecular formula C14H9BrFNO2S and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79336814
Molecular FormulaC14H9BrFNO2S
Molecular Weight354.20 g/mol
Exact Mass352.95
IUPAC Name5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccc3F)c(Br)cc2C1O
InChIInChI=1S/C14H9BrFNO2S/c15-8-5-7-10(17-14(19)13(7)18)6-12(8)20-11-4-2-1-3-9(11)16/h1-6,13,18H,(H,17,19)
InChIKeyNCELVWVHZYFSCS-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (CID 79336814) is 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccccc3F)c(Br)cc2C1O.
What is the InChIKey of 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is NCELVWVHZYFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2S/c15-8-5-7-10(17-14(19)13(7)18)6-12(8)20-11-4-2-1-3-9(11)16/h1-6,13,18H,(H,17,19).
What are the key properties of 5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 354.20 g/mol, XLogP of 3.72, 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-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).