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

C16H10ClNO2S — CID 14641692

IUPAC1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C=C(Sc2ccccc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2S/c17-12-8-4-5-9-13(12)18-15(19)10-14(16(18)20)21-11-6-2-1-3-7-11/h1-10H
InChIKeyRXADYSFRRBXVKS-UHFFFAOYSA-N
MW315.78 g/mol
LogP3.89
Rot. Bonds3

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

1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione (PubChem CID 14641692) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione
PubChem CID14641692
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C=C(Sc2ccccc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2S/c17-12-8-4-5-9-13(12)18-15(19)10-14(16(18)20)21-11-6-2-1-3-7-11/h1-10H
InChIKeyRXADYSFRRBXVKS-UHFFFAOYSA-N
XLogP3.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_imide_A(1)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
CID 15543976
1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555567
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione
CID 2392352
4-(2-chlorophenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 2833387
(1S,2S,6S,7R)-4-(2-chlorophenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 98068623
1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
CID 103480245
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557160
3-(2-chlorophenyl)-1,3-oxazol-2-one
CID 141380770
3-(2-chlorophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009998
(3aR,5R,6S,7aR)-5,6-dibromo-2-(2-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7115541
(15R,19R)-17-(2-chlorophenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 40573589

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione (CID 14641692) is 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione is O=C1C=C(Sc2ccccc2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is RXADYSFRRBXVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-12-8-4-5-9-13(12)18-15(19)10-14(16(18)20)21-11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione?
1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 315.78 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 14641692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).