5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one

C12H14FNO3S — CID 80758599

IUPAC5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCOCCCSc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C12H14FNO3S/c1-17-3-2-4-18-10-6-9-7(5-8(10)13)11(15)12(16)14-9/h5-6,11,15H,2-4H2,1H3,(H,14,16)
InChIKeyIHIOOBMUPDFVEL-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.94
Rot. Bonds5

About 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 80758599) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID80758599
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCOCCCSc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C12H14FNO3S/c1-17-3-2-4-18-10-6-9-7(5-8(10)13)11(15)12(16)14-9/h5-6,11,15H,2-4H2,1H3,(H,14,16)
InChIKeyIHIOOBMUPDFVEL-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2741177
(3r)-5-Fluoro-3-Hydroxy-1,3-Dihydro-2h-Indol-2-One
CID 6926189
(3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 6926190
6-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 574175
3-(4-fluorothiophen-2-yl)-3-hydroxy-1H-indol-2-one
CID 163232301
3-(3-fluorothiophen-2-yl)-3-hydroxy-1H-indol-2-one
CID 163232396
(3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 28561302
4,6-Difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361227
5,6-Difluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 61361646
4,5,6-Trifluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 62813445
6-(2-Fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 63813519
6-(4-Fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 63814587

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one (CID 80758599) is 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one is COCCCSc1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is IHIOOBMUPDFVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-17-3-2-4-18-10-6-9-7(5-8(10)13)11(15)12(16)14-9/h5-6,11,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 271.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-(3-methoxypropylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).