(3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one

C20H14FNOS — CID 164684129

IUPAC(3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2[C@]1(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H14FNOS/c21-15-11-12-18-17(13-15)20(19(23)22-18,14-7-3-1-4-8-14)24-16-9-5-2-6-10-16/h1-13H,(H,22,23)/t20-/m1/s1
InChIKeyPLTDXFKQEBSTMW-HXUWFJFHSA-N
MW335.40 g/mol
LogP4.81
Rot. Bonds3

About (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one

(3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one (PubChem CID 164684129) has the molecular formula C20H14FNOS and a molecular weight of 335.40 g/mol. Its IUPAC name is (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one
PubChem CID164684129
Molecular FormulaC20H14FNOS
Molecular Weight335.40 g/mol
Exact Mass335.08
IUPAC Name(3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2[C@]1(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H14FNOS/c21-15-11-12-18-17(13-15)20(19(23)22-18,14-7-3-1-4-8-14)24-16-9-5-2-6-10-16/h1-13H,(H,22,23)/t20-/m1/s1
InChIKeyPLTDXFKQEBSTMW-HXUWFJFHSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one?
The IUPAC name of (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one (CID 164684129) is (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one.
What is the SMILES notation for (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one?
The canonical SMILES for (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one is O=C1Nc2ccc(F)cc2[C@]1(Sc1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one?
The InChIKey is PLTDXFKQEBSTMW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H14FNOS/c21-15-11-12-18-17(13-15)20(19(23)22-18,14-7-3-1-4-8-14)24-16-9-5-2-6-10-16/h1-13H,(H,22,23)/t20-/m1/s1.
What are the key properties of (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one?
(3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one has a molecular weight of 335.40 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-3-phenyl-3-phenylsulfanyl-1H-indol-2-one is sourced from PubChem (CID 164684129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).