3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione

C23H15Cl2NO2S — CID 110571332

IUPAC3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H15Cl2NO2S/c1-14-4-2-3-5-19(14)26-22(27)20(15-6-8-16(24)9-7-15)21(23(26)28)29-18-12-10-17(25)11-13-18/h2-13H,1H3
InChIKeyUERRSFPSUGSSHR-UHFFFAOYSA-N
MW440.35 g/mol
LogP6.38
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 110571332) has the molecular formula C23H15Cl2NO2S and a molecular weight of 440.35 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID110571332
Molecular FormulaC23H15Cl2NO2S
Molecular Weight440.35 g/mol
Exact Mass439.02
IUPAC Name3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H15Cl2NO2S/c1-14-4-2-3-5-19(14)26-22(27)20(15-6-8-16(24)9-7-15)21(23(26)28)29-18-12-10-17(25)11-13-18/h2-13H,1H3
InChIKeyUERRSFPSUGSSHR-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione (CID 110571332) is 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione is Cc1ccccc1N1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is UERRSFPSUGSSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO2S/c1-14-4-2-3-5-19(14)26-22(27)20(15-6-8-16(24)9-7-15)21(23(26)28)29-18-12-10-17(25)11-13-18/h2-13H,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-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 3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110571332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).