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

C23H15Cl2NO2S — CID 110571188

IUPAC1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCc1cc(Cl)ccc1N1C(=O)C(Sc2ccccc2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H15Cl2NO2S/c1-14-13-17(25)11-12-19(14)26-22(27)20(15-7-9-16(24)10-8-15)21(23(26)28)29-18-5-3-2-4-6-18/h2-13H,1H3
InChIKeyGTLMEHNHEQVISV-UHFFFAOYSA-N
MW440.35 g/mol
LogP6.38
Rot. Bonds4

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

1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110571188) has the molecular formula C23H15Cl2NO2S and a molecular weight of 440.35 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110571188
Molecular FormulaC23H15Cl2NO2S
Molecular Weight440.35 g/mol
Exact Mass439.02
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCc1cc(Cl)ccc1N1C(=O)C(Sc2ccccc2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H15Cl2NO2S/c1-14-13-17(25)11-12-19(14)26-22(27)20(15-7-9-16(24)10-8-15)21(23(26)28)29-18-5-3-2-4-6-18/h2-13H,1H3
InChIKeyGTLMEHNHEQVISV-UHFFFAOYSA-N
XLogP6.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 56.38
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

3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571332
1-(2,5-dichlorophenyl)-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110574784
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573581
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
3-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571214
1-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550560
3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110570652
1-(4-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110545694
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265
1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110550614
3-benzylsulfanyl-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571336
1-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110544691

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110571188) is 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione is Cc1cc(Cl)ccc1N1C(=O)C(Sc2ccccc2)=C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is GTLMEHNHEQVISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO2S/c1-14-13-17(25)11-12-19(14)26-22(27)20(15-7-9-16(24)10-8-15)21(23(26)28)29-18-5-3-2-4-6-18/h2-13H,1H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 440.35 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110571188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).