1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione

C14H11F2N3O2S — CID 17035935

IUPAC1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCn1ccnc1SC1CC(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C14H11F2N3O2S/c1-18-5-4-17-14(18)22-11-7-12(20)19(13(11)21)8-2-3-9(15)10(16)6-8/h2-6,11H,7H2,1H3
InChIKeyGNSSZYXSCKLXDG-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.12
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione

1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 17035935) has the molecular formula C14H11F2N3O2S and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID17035935
Molecular FormulaC14H11F2N3O2S
Molecular Weight323.32 g/mol
Exact Mass323.05
IUPAC Name1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCn1ccnc1SC1CC(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C14H11F2N3O2S/c1-18-5-4-17-14(18)22-11-7-12(20)19(13(11)21)8-2-3-9(15)10(16)6-8/h2-6,11H,7H2,1H3
InChIKeyGNSSZYXSCKLXDG-UHFFFAOYSA-N
XLogP2.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 17035942
(3S)-1-(3,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 29158192
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
2-[(3R)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 92693938
(3S)-1-(3,4-dichlorophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1072389
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
(3R)-1-(4-fluorophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 800303
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
(3R)-1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 702871

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione (CID 17035935) is 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione is Cn1ccnc1SC1CC(=O)N(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is GNSSZYXSCKLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S/c1-18-5-4-17-14(18)22-11-7-12(20)19(13(11)21)8-2-3-9(15)10(16)6-8/h2-6,11H,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione?
1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 323.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 17035935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).