(3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine

C20H20ClNO2S — CID 134959668

IUPAC(3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO2S/c1-3-17-13-22(25(23,24)20-10-4-15(2)5-11-20)14-18(17)12-16-6-8-19(21)9-7-16/h3-12,17H,1,13-14H2,2H3/b18-12+/t17-/m1/s1
InChIKeyZAPFJLLBFYGUOH-YPOUMIDOSA-N
MW373.91 g/mol
LogP4.54
Rot. Bonds4

About (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine

(3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 134959668) has the molecular formula C20H20ClNO2S and a molecular weight of 373.91 g/mol. Its IUPAC name is (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID134959668
Molecular FormulaC20H20ClNO2S
Molecular Weight373.91 g/mol
Exact Mass373.09
IUPAC Name(3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO2S/c1-3-17-13-22(25(23,24)20-10-4-15(2)5-11-20)14-18(17)12-16-6-8-19(21)9-7-16/h3-12,17H,1,13-14H2,2H3/b18-12+/t17-/m1/s1
InChIKeyZAPFJLLBFYGUOH-YPOUMIDOSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 134959668) is (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine is C=C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is ZAPFJLLBFYGUOH-YPOUMIDOSA-N. The full InChI is InChI=1S/C20H20ClNO2S/c1-3-17-13-22(25(23,24)20-10-4-15(2)5-11-20)14-18(17)12-16-6-8-19(21)9-7-16/h3-12,17H,1,13-14H2,2H3/b18-12+/t17-/m1/s1.
What are the key properties of (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 373.91 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4S)-3-[(4-chlorophenyl)methylidene]-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 134959668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).