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

C16H12F2N2O2S — CID 2731194

IUPAC3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
SMILESNc1ccccc1SC1CC(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H12F2N2O2S/c17-10-6-5-9(7-11(10)18)20-15(21)8-14(16(20)22)23-13-4-2-1-3-12(13)19/h1-7,14H,8,19H2
InChIKeySFRYZHWKWITZLS-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.97
Rot. Bonds3

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

3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2731194) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
PubChem CID2731194
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
SMILESNc1ccccc1SC1CC(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H12F2N2O2S/c17-10-6-5-9(7-11(10)18)20-15(21)8-14(16(20)22)23-13-4-2-1-3-12(13)19/h1-7,14H,8,19H2
InChIKeySFRYZHWKWITZLS-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione (CID 2731194) is 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione is Nc1ccccc1SC1CC(=O)N(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is SFRYZHWKWITZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c17-10-6-5-9(7-11(10)18)20-15(21)8-14(16(20)22)23-13-4-2-1-3-12(13)19/h1-7,14H,8,19H2.
What are the key properties of 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 334.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2731194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).