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

C24H17Cl2NO2S — CID 110579769

IUPAC1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1
InChIInChI=1S/C24H17Cl2NO2S/c1-14-8-10-18(15(2)12-14)21-22(30-17-6-4-3-5-7-17)24(29)27(23(21)28)16-9-11-19(25)20(26)13-16/h3-13H,1-2H3
InChIKeyJRWNXNRBVVELSB-UHFFFAOYSA-N
MW454.38 g/mol
LogP6.69
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110579769) has the molecular formula C24H17Cl2NO2S and a molecular weight of 454.38 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110579769
Molecular FormulaC24H17Cl2NO2S
Molecular Weight454.38 g/mol
Exact Mass453.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1
InChIInChI=1S/C24H17Cl2NO2S/c1-14-8-10-18(15(2)12-14)21-22(30-17-6-4-3-5-7-17)24(29)27(23(21)28)16-9-11-19(25)20(26)13-16/h3-13H,1-2H3
InChIKeyJRWNXNRBVVELSB-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110580602
1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110579771
1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110578010
3-(2-methoxyphenyl)-1-(3-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567255
1-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110579440
3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110578550
1-(2,5-dichlorophenyl)-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110574784
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110580585
3-(2,4-dimethylphenyl)-1-(3-methylphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110579952
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557545
1-(3-chloro-4-methylphenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580203
3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110579769) is 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione is Cc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is JRWNXNRBVVELSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO2S/c1-14-8-10-18(15(2)12-14)21-22(30-17-6-4-3-5-7-17)24(29)27(23(21)28)16-9-11-19(25)20(26)13-16/h3-13H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
1-(3,4-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-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110579769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).