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

C11H12FNO4S — CID 80757903

IUPAC6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SCC(O)CO)c(F)cc2C1O
InChIInChI=1S/C11H12FNO4S/c12-7-1-6-8(13-11(17)10(6)16)2-9(7)18-4-5(15)3-14/h1-2,5,10,14-16H,3-4H2,(H,13,17)
InChIKeyFBWPTBQPOCCIPT-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.26
Rot. Bonds4

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

6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80757903) has the molecular formula C11H12FNO4S and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80757903
Molecular FormulaC11H12FNO4S
Molecular Weight273.29 g/mol
Exact Mass273.05
IUPAC Name6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SCC(O)CO)c(F)cc2C1O
InChIInChI=1S/C11H12FNO4S/c12-7-1-6-8(13-11(17)10(6)16)2-9(7)18-4-5(15)3-14/h1-2,5,10,14-16H,3-4H2,(H,13,17)
InChIKeyFBWPTBQPOCCIPT-UHFFFAOYSA-N
XLogP0.26
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroxypropylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79670282
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
5-fluoro-3-hydroxy-6-[(3-methylphenyl)methylsulfanyl]-1,3-dihydroindol-2-one
CID 80746863
5-bromo-3-hydroxy-6-(3-hydroxy-2-methylpropyl)sulfanyl-1,3-dihydroindol-2-one
CID 79343022
3-amino-5-chloro-6-(2,3-dihydroxypropylsulfanyl)-1,3-dihydroindol-2-one
CID 79682179
5-fluoro-3-hydroxy-6-pyrimidin-4-ylsulfanyl-1,3-dihydroindol-2-one
CID 80759201
6-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80746862
5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 106836471
5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one
CID 80747140
5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 79344171
6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758142
2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide
CID 114232131

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80757903) is 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(SCC(O)CO)c(F)cc2C1O.
What is the InChIKey of 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is FBWPTBQPOCCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-7-1-6-8(13-11(17)10(6)16)2-9(7)18-4-5(15)3-14/h1-2,5,10,14-16H,3-4H2,(H,13,17).
What are the key properties of 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 273.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropylsulfanyl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80757903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).