3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione

C24H18ClNO2S — CID 110570652

IUPAC3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H18ClNO2S/c1-2-16-8-14-19(15-9-16)26-23(27)21(17-10-12-18(25)13-11-17)22(24(26)28)29-20-6-4-3-5-7-20/h3-15H,2H2,1H3
InChIKeyGDCFDQLGTDWLRM-UHFFFAOYSA-N
MW419.93 g/mol
LogP5.98
Rot. Bonds5

About 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione

3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110570652) has the molecular formula C24H18ClNO2S and a molecular weight of 419.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110570652
Molecular FormulaC24H18ClNO2S
Molecular Weight419.93 g/mol
Exact Mass419.07
IUPAC Name3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H18ClNO2S/c1-2-16-8-14-19(15-9-16)26-23(27)21(17-10-12-18(25)13-11-17)22(24(26)28)29-20-6-4-3-5-7-20/h3-15H,2H2,1H3
InChIKeyGDCFDQLGTDWLRM-UHFFFAOYSA-N
XLogP5.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.93
LogP ≤ 55.98
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

1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110547658
1-(4-ethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-phenylsulfanylpyrrole-2,5-dione
CID 110551728
N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide
CID 110570969
3-(4-chlorophenyl)sulfanyl-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554316
3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110562040
1-(4-butylphenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557451
3-(4-chlorophenyl)sulfanyl-1-(3-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110558510
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571188
3-benzylsulfanyl-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110570683
3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110559442
3-benzylsulfanyl-4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110570418

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110570652) is 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione is CCc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is GDCFDQLGTDWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2S/c1-2-16-8-14-19(15-9-16)26-23(27)21(17-10-12-18(25)13-11-17)22(24(26)28)29-20-6-4-3-5-7-20/h3-15H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 419.93 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110570652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).