3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione

C18H14ClNO2S — CID 110559442

IUPAC3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H14ClNO2S/c1-2-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)23-14-10-8-13(19)9-11-14/h3-11H,2H2,1H3
InChIKeyZDYAQVGQUIMIEN-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.23
Rot. Bonds4

About 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione

3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione (PubChem CID 110559442) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione
PubChem CID110559442
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H14ClNO2S/c1-2-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)23-14-10-8-13(19)9-11-14/h3-11H,2H2,1H3
InChIKeyZDYAQVGQUIMIEN-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.23
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)sulfanyl-1-decyl-4-phenylpyrrole-2,5-dione
CID 110560034
1-ethyl-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110572455
3-(4-chlorophenyl)sulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559547
1-[(2-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfanyl-4-phenylpyrrole-2,5-dione
CID 110558985
3-(2,4-dichlorophenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110568201
3-benzylsulfanyl-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110569666
3-(4-chlorophenyl)sulfanyl-1-ethyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551265
3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110546641
3-(4-chlorophenyl)sulfanyl-4-phenyl-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110559208
3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110578550
3-(4-chlorophenyl)-4-phenylsulfanyl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110569929
3-(4-chlorophenyl)sulfanyl-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543224

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione (CID 110559442) is 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione is CCN1C(=O)C(Sc2ccc(Cl)cc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione?
The InChIKey is ZDYAQVGQUIMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c1-2-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)23-14-10-8-13(19)9-11-14/h3-11H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione?
3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione has a molecular weight of 343.84 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).