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

C23H15Cl2NO3S — CID 110567837

IUPAC1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C23H15Cl2NO3S/c1-29-19-10-6-5-9-16(19)20-21(30-15-7-3-2-4-8-15)23(28)26(22(20)27)18-13-14(24)11-12-17(18)25/h2-13H,1H3
InChIKeyJIPQZMXYYXGHSQ-UHFFFAOYSA-N
MW456.35 g/mol
LogP6.08
Rot. Bonds5

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

1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110567837) has the molecular formula C23H15Cl2NO3S and a molecular weight of 456.35 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110567837
Molecular FormulaC23H15Cl2NO3S
Molecular Weight456.35 g/mol
Exact Mass455.01
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C23H15Cl2NO3S/c1-29-19-10-6-5-9-16(19)20-21(30-15-7-3-2-4-8-15)23(28)26(22(20)27)18-13-14(24)11-12-17(18)25/h2-13H,1H3
InChIKeyJIPQZMXYYXGHSQ-UHFFFAOYSA-N
XLogP6.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.35
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567492
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
1-(2,5-difluorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567821
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
1-(2,5-dichlorophenyl)-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110574784
1-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550560
3-(2-methoxyphenyl)-1-(3-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567255
3-benzylsulfanyl-1-(5-chloro-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566858
3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110566783
3-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571214
3-benzylsulfanyl-1-(4-chloro-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567547
1-(3-chloro-4-fluorophenyl)-3-ethylsulfanyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567109

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110567837) is 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione is COc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is JIPQZMXYYXGHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO3S/c1-29-19-10-6-5-9-16(19)20-21(30-15-7-3-2-4-8-15)23(28)26(22(20)27)18-13-14(24)11-12-17(18)25/h2-13H,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 456.35 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110567837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).