(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione

C16H12FNO2S — CID 774602

IUPAC(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Sc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12FNO2S/c17-11-6-8-13(9-7-11)21-14-10-15(19)18(16(14)20)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m1/s1
InChIKeyPIIDYJWIQCUCFF-CQSZACIVSA-N
MW301.34 g/mol
LogP3.25
Rot. Bonds3

About (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione

(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 774602) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
PubChem CID774602
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Sc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12FNO2S/c17-11-6-8-13(9-7-11)21-14-10-15(19)18(16(14)20)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m1/s1
InChIKeyPIIDYJWIQCUCFF-CQSZACIVSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585
[2-(4-fluorophenyl)-2-oxoethyl] 4-(2,5-dioxo-3-phenylsulfanylpyrrolidin-1-yl)benzoate
CID 23095789
(3R)-1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 702871
3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 19631153
1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione
CID 19058537
(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 2059029
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3106521
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
N-[(Z)-3-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 21170374
(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 92639985
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (CID 774602) is (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is O=C1C[C@@H](Sc2ccc(F)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is PIIDYJWIQCUCFF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12FNO2S/c17-11-6-8-13(9-7-11)21-14-10-15(19)18(16(14)20)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 301.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 774602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).