1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione

C24H17Cl2NO2S — CID 110580602

IUPAC1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1
InChIInChI=1S/C24H17Cl2NO2S/c1-14-11-12-17(15(2)13-14)20-22(30-16-7-4-3-5-8-16)24(29)27(23(20)28)19-10-6-9-18(25)21(19)26/h3-13H,1-2H3
InChIKeyCQYRVSPXMWLITG-UHFFFAOYSA-N
MW454.38 g/mol
LogP6.69
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione

1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110580602) has the molecular formula C24H17Cl2NO2S and a molecular weight of 454.38 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110580602
Molecular FormulaC24H17Cl2NO2S
Molecular Weight454.38 g/mol
Exact Mass453.04
IUPAC Name1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1
InChIInChI=1S/C24H17Cl2NO2S/c1-14-11-12-17(15(2)13-14)20-22(30-16-7-4-3-5-8-16)24(29)27(23(20)28)19-10-6-9-18(25)21(19)26/h3-13H,1-2H3
InChIKeyCQYRVSPXMWLITG-UHFFFAOYSA-N
XLogP6.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.38
LogP ≤ 56.69
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-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110579769
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110580585
1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580594
1-(3-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110579394
1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 23966227
1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110578010
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
1-(2,5-dichlorophenyl)-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110574784
3-benzylsulfanyl-1-(4-chloro-2-methylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110580251
1-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110544691
3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110578550
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557160

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110580602) is 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione is Cc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is CQYRVSPXMWLITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO2S/c1-14-11-12-17(15(2)13-14)20-22(30-16-7-4-3-5-8-16)24(29)27(23(20)28)19-10-6-9-18(25)21(19)26/h3-13H,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 454.38 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110580602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).