(3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one

C8H6FNO2S — CID 170458979

IUPAC(3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2[C@]1(O)S
InChIInChI=1S/C8H6FNO2S/c9-4-1-2-6-5(3-4)8(12,13)7(11)10-6/h1-3,12-13H,(H,10,11)/t8-/m0/s1
InChIKeyWFXKWMWUNNBHLS-QMMMGPOBSA-N
MW199.21 g/mol
LogP0.85
Rot. Bonds

About (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one

(3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one (PubChem CID 170458979) has the molecular formula C8H6FNO2S and a molecular weight of 199.21 g/mol. Its IUPAC name is (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one
PubChem CID170458979
Molecular FormulaC8H6FNO2S
Molecular Weight199.21 g/mol
Exact Mass199.01
IUPAC Name(3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2[C@]1(O)S
InChIInChI=1S/C8H6FNO2S/c9-4-1-2-6-5(3-4)8(12,13)7(11)10-6/h1-3,12-13H,(H,10,11)/t8-/m0/s1
InChIKeyWFXKWMWUNNBHLS-QMMMGPOBSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one?
The IUPAC name of (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one (CID 170458979) is (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one.
What is the SMILES notation for (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one?
The canonical SMILES for (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one is O=C1Nc2ccc(F)cc2[C@]1(O)S.
What is the InChIKey of (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one?
The InChIKey is WFXKWMWUNNBHLS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6FNO2S/c9-4-1-2-6-5(3-4)8(12,13)7(11)10-6/h1-3,12-13H,(H,10,11)/t8-/m0/s1.
What are the key properties of (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one?
(3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one has a molecular weight of 199.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-3-hydroxy-3-sulfanyl-1H-indol-2-one is sourced from PubChem (CID 170458979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).