2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine

C18H18ClNO2S — CID 86167152

IUPAC2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=C1CC(c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H18ClNO2S/c1-13-7-9-15(10-8-13)23(21,22)20-12-14(2)11-18(20)16-5-3-4-6-17(16)19/h3-10,18H,2,11-12H2,1H3
InChIKeyGNZWYICKHICATO-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.34
Rot. Bonds3

About 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine

2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 86167152) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID86167152
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=C1CC(c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H18ClNO2S/c1-13-7-9-15(10-8-13)23(21,22)20-12-14(2)11-18(20)16-5-3-4-6-17(16)19/h3-10,18H,2,11-12H2,1H3
InChIKeyGNZWYICKHICATO-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
CID 54671581
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
(2E)-2-[5-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]-N,N-diphenylacetamide
CID 24767353
(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
CID 71416019
1-(benzenesulfonyl)-5-(4-methylphenyl)pyrrolidin-3-one
CID 102590772
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine (CID 86167152) is 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine is C=C1CC(c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is GNZWYICKHICATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-13-7-9-15(10-8-13)23(21,22)20-12-14(2)11-18(20)16-5-3-4-6-17(16)19/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 347.87 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 86167152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).