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

C23H16ClNO3S — CID 110567863

IUPAC1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C23H16ClNO3S/c1-28-19-14-8-5-11-16(19)20-21(29-15-9-3-2-4-10-15)23(27)25(22(20)26)18-13-7-6-12-17(18)24/h2-14H,1H3
InChIKeyYVBPQOJNYZTDNZ-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.43
Rot. Bonds5

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

1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110567863) has the molecular formula C23H16ClNO3S and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110567863
Molecular FormulaC23H16ClNO3S
Molecular Weight421.91 g/mol
Exact Mass421.05
IUPAC Name1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C23H16ClNO3S/c1-28-19-14-8-5-11-16(19)20-21(29-15-9-3-2-4-10-15)23(27)25(22(20)26)18-13-7-6-12-17(18)24/h2-14H,1H3
InChIKeyYVBPQOJNYZTDNZ-UHFFFAOYSA-N
XLogP5.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567837
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567492
1-(2,5-difluorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567821
3-(2-methoxyphenyl)-1-(3-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567255
3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110566783
1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555567
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557160
1-(3-chloro-2-methylphenyl)-3-(2-hydroxyethylsulfanyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566727
1-butyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110565822
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598653
1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110566056

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110567863) is 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione is COc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is YVBPQOJNYZTDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3S/c1-28-19-14-8-5-11-16(19)20-21(29-15-9-3-2-4-10-15)23(27)25(22(20)26)18-13-7-6-12-17(18)24/h2-14H,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 421.91 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110567863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).