(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione

C17H13F2NO2S — CID 29101479

IUPAC(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(S[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C17H13F2NO2S/c1-10-2-5-12(6-3-10)23-15-9-16(21)20(17(15)22)11-4-7-13(18)14(19)8-11/h2-8,15H,9H2,1H3/t15-/m0/s1
InChIKeySCPXUFZYTGDAGL-HNNXBMFYSA-N
MW333.36 g/mol
LogP3.70
Rot. Bonds3

About (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione

(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 29101479) has the molecular formula C17H13F2NO2S and a molecular weight of 333.36 g/mol. Its IUPAC name is (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
PubChem CID29101479
Molecular FormulaC17H13F2NO2S
Molecular Weight333.36 g/mol
Exact Mass333.06
IUPAC Name(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(S[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C17H13F2NO2S/c1-10-2-5-12(6-3-10)23-15-9-16(21)20(17(15)22)11-4-7-13(18)14(19)8-11/h2-8,15H,9H2,1H3/t15-/m0/s1
InChIKeySCPXUFZYTGDAGL-HNNXBMFYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1278127
(3S)-1-(3,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 29158192
2-[(3R)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 92693938
1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione
CID 17035935
(3S)-1-(3,4-difluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 29158175
1-(3,4-difluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 17035940
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 53269691
1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 17035942
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (CID 29101479) is (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is Cc1ccc(S[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)cc1.
What is the InChIKey of (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is SCPXUFZYTGDAGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13F2NO2S/c1-10-2-5-12(6-3-10)23-15-9-16(21)20(17(15)22)11-4-7-13(18)14(19)8-11/h2-8,15H,9H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 333.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 29101479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).