1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

C20H12ClNO2S2 — CID 110555567

IUPAC1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2cccs2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C20H12ClNO2S2/c21-14-9-4-5-10-15(14)22-19(23)17(16-11-6-12-25-16)18(20(22)24)26-13-7-2-1-3-8-13/h1-12H
InChIKeyPKORKQVQCSGHOK-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.48
Rot. Bonds4

About 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110555567) has the molecular formula C20H12ClNO2S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110555567
Molecular FormulaC20H12ClNO2S2
Molecular Weight397.91 g/mol
Exact Mass397.00
IUPAC Name1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2cccs2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C20H12ClNO2S2/c21-14-9-4-5-10-15(14)22-19(23)17(16-11-6-12-25-16)18(20(22)24)26-13-7-2-1-3-8-13/h1-12H
InChIKeyPKORKQVQCSGHOK-UHFFFAOYSA-N
XLogP5.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.48
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-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554561
1-methyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553017
4-(2,5-dioxo-3-phenylsulfanyl-4-thiophen-2-ylpyrrol-1-yl)benzenesulfonamide
CID 110554649
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554523
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
3-phenylsulfanyl-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110554086
N-[4-(2,5-dioxo-3-phenylsulfanyl-4-thiophen-2-ylpyrrol-1-yl)phenyl]acetamide
CID 110554773
3-(4-chlorophenyl)sulfanyl-1-(2,4-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554745
3-(4-chlorophenyl)sulfanyl-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554251
3-(4-chlorophenyl)sulfanyl-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554316
1-(2-methoxyethyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553079
1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552861

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110555567) is 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(Sc2ccccc2)=C(c2cccs2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is PKORKQVQCSGHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO2S2/c21-14-9-4-5-10-15(14)22-19(23)17(16-11-6-12-25-16)18(20(22)24)26-13-7-2-1-3-8-13/h1-12H.
What are the key properties of 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 397.91 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110555567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).