(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione

C16H10ClF2NO2S — CID 98568401

IUPAC(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C16H10ClF2NO2S/c17-9-1-4-11(5-2-9)23-14-8-15(21)20(16(14)22)10-3-6-12(18)13(19)7-10/h1-7,14H,8H2/t14-/m1/s1
InChIKeyVKKUHVLGNNAVNF-CQSZACIVSA-N
MW353.78 g/mol
LogP4.04
Rot. Bonds3

About (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione

(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione (PubChem CID 98568401) has the molecular formula C16H10ClF2NO2S and a molecular weight of 353.78 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
PubChem CID98568401
Molecular FormulaC16H10ClF2NO2S
Molecular Weight353.78 g/mol
Exact Mass353.01
IUPAC Name(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C16H10ClF2NO2S/c17-9-1-4-11(5-2-9)23-14-8-15(21)20(16(14)22)10-3-6-12(18)13(19)7-10/h1-7,14H,8H2/t14-/m1/s1
InChIKeyVKKUHVLGNNAVNF-CQSZACIVSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-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

(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
(3S)-1-(3,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 29158192
(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7104101
(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 98470656
(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1278127
(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1206931
1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 17035942
1-(4-bromo-2,5-difluorophenyl)-3-(4-chlorophenyl)sulfanylpyrrolidine-2,5-dione
CID 2809197
(3S)-1-(3,4-difluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 29158175

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione (CID 98568401) is (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is VKKUHVLGNNAVNF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H10ClF2NO2S/c17-9-1-4-11(5-2-9)23-14-8-15(21)20(16(14)22)10-3-6-12(18)13(19)7-10/h1-7,14H,8H2/t14-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 353.78 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98568401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).