(3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one

C16H14FNO2S — CID 134812628

IUPAC(3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one
SMILESO=C1N(CCc2ccccc2)c2ccc(F)cc2[C@@]1(O)S
InChIInChI=1S/C16H14FNO2S/c17-12-6-7-14-13(10-12)16(20,21)15(19)18(14)9-8-11-4-2-1-3-5-11/h1-7,10,20-21H,8-9H2/t16-/m1/s1
InChIKeyHKFIRJKHNJPBSR-MRXNPFEDSA-N
MW303.36 g/mol
LogP2.49
Rot. Bonds3

About (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one

(3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one (PubChem CID 134812628) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one.

Molecular Properties

Compound Name(3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one
PubChem CID134812628
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name(3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one
SMILESO=C1N(CCc2ccccc2)c2ccc(F)cc2[C@@]1(O)S
InChIInChI=1S/C16H14FNO2S/c17-12-6-7-14-13(10-12)16(20,21)15(19)18(14)9-8-11-4-2-1-3-5-11/h1-7,10,20-21H,8-9H2/t16-/m1/s1
InChIKeyHKFIRJKHNJPBSR-MRXNPFEDSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
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 (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-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 (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one?
The IUPAC name of (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one (CID 134812628) is (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one.
What is the SMILES notation for (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one?
The canonical SMILES for (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one is O=C1N(CCc2ccccc2)c2ccc(F)cc2[C@@]1(O)S.
What is the InChIKey of (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one?
The InChIKey is HKFIRJKHNJPBSR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14FNO2S/c17-12-6-7-14-13(10-12)16(20,21)15(19)18(14)9-8-11-4-2-1-3-5-11/h1-7,10,20-21H,8-9H2/t16-/m1/s1.
What are the key properties of (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one?
(3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-3-hydroxy-1-(2-phenylethyl)-3-sulfanylindol-2-one is sourced from PubChem (CID 134812628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).