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

C16H12ClNO2S — CID 138975835

IUPAC3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12ClNO2S/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
InChIKeyWRIWUERROKJQDA-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.76
Rot. Bonds3

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

3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 138975835) has the molecular formula C16H12ClNO2S and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
PubChem CID138975835
Molecular FormulaC16H12ClNO2S
Molecular Weight317.80 g/mol
Exact Mass317.03
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12ClNO2S/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
InChIKeyWRIWUERROKJQDA-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.76
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

(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585
(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
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
phenacyl 4-[3-(4-chlorophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23097853
1-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-3-phenylurea
CID 19059067
(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
(E)-4-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22779335

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (CID 138975835) is 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is O=C1CC(Sc2ccc(Cl)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is WRIWUERROKJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S/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.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 317.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 138975835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).