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

C24H17Cl2NO2S — CID 110573581

IUPAC1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1
InChIInChI=1S/C24H17Cl2NO2S/c1-14-3-6-16(7-4-14)21-22(30-19-11-9-17(25)10-12-19)24(29)27(23(21)28)20-13-18(26)8-5-15(20)2/h3-13H,1-2H3
InChIKeyVDHLADUCMDRDKL-UHFFFAOYSA-N
MW454.38 g/mol
LogP6.69
Rot. Bonds4

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

1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110573581) has the molecular formula C24H17Cl2NO2S and a molecular weight of 454.38 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110573581
Molecular FormulaC24H17Cl2NO2S
Molecular Weight454.38 g/mol
Exact Mass453.04
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1
InChIInChI=1S/C24H17Cl2NO2S/c1-14-3-6-16(7-4-14)21-22(30-19-11-9-17(25)10-12-19)24(29)27(23(21)28)20-13-18(26)8-5-15(20)2/h3-13H,1-2H3
InChIKeyVDHLADUCMDRDKL-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

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-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571188
1-(5-chloro-2-methylphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544849
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-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
1-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550560
1-(5-chloro-2-methylphenyl)-3-(furan-2-ylmethylsulfanyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573584
1-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110544850
1-(5-chloro-2-methylphenyl)-3-ethylsulfanyl-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542125
3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557101

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110573581) is 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is VDHLADUCMDRDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO2S/c1-14-3-6-16(7-4-14)21-22(30-19-11-9-17(25)10-12-19)24(29)27(23(21)28)20-13-18(26)8-5-15(20)2/h3-13H,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-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-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110573581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).