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

C14H10FNO2S — CID 63813519

IUPAC6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccc3F)ccc2C1O
InChIInChI=1S/C14H10FNO2S/c15-10-3-1-2-4-12(10)19-8-5-6-9-11(7-8)16-14(18)13(9)17/h1-7,13,17H,(H,16,18)
InChIKeyLJDAMHHCKJYVMW-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.96
Rot. Bonds2

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

6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 63813519) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID63813519
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccc3F)ccc2C1O
InChIInChI=1S/C14H10FNO2S/c15-10-3-1-2-4-12(10)19-8-5-6-9-11(7-8)16-14(18)13(9)17/h1-7,13,17H,(H,16,18)
InChIKeyLJDAMHHCKJYVMW-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one (CID 63813519) is 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccccc3F)ccc2C1O.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is LJDAMHHCKJYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c15-10-3-1-2-4-12(10)19-8-5-6-9-11(7-8)16-14(18)13(9)17/h1-7,13,17H,(H,16,18).
What are the key properties of 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one?
6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 275.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 63813519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).