2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine

C25H25NO2S — CID 77140020

IUPAC2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
SMILESC=CC1CC(c2ccccc2)(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H25NO2S/c1-3-23-18-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)19-26(23)29(27,28)24-16-14-20(2)15-17-24/h3-17,23H,1,18-19H2,2H3
InChIKeyCVKKWFRSKROGGF-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.93
Rot. Bonds5

About 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine

2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine (PubChem CID 77140020) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
PubChem CID77140020
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
SMILESC=CC1CC(c2ccccc2)(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H25NO2S/c1-3-23-18-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)19-26(23)29(27,28)24-16-14-20(2)15-17-24/h3-17,23H,1,18-19H2,2H3
InChIKeyCVKKWFRSKROGGF-UHFFFAOYSA-N
XLogP4.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.93
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

2-(iodomethyl)-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102531052
(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine
CID 134848112
2-benzyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102221375
gold(1+);2-methanidyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine;triphenylphosphane
CID 135008281
(7aS)-2-(4-methylphenyl)sulfonyl-6,6-diphenyl-3,5,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
CID 102593211
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
CID 102436377
(2R,3R)-3-benzyl-2-ethenyl-1-(4-methylphenyl)sulfonylazetidine
CID 134926510
dimethyl 5-ethenyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine-3,3-dicarboxylate
CID 102218557
methyl (2S,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylate
CID 15386103
(1R,5S)-6-(4-methylphenyl)sulfonyl-1-phenyl-8-oxa-6-azabicyclo[3.2.1]octane
CID 122216426

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine?
The IUPAC name of 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine (CID 77140020) is 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine.
What is the SMILES notation for 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine?
The canonical SMILES for 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine is C=CC1CC(c2ccccc2)(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine?
The InChIKey is CVKKWFRSKROGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-3-23-18-25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)19-26(23)29(27,28)24-16-14-20(2)15-17-24/h3-17,23H,1,18-19H2,2H3.
What are the key properties of 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine?
2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine has a molecular weight of 403.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine is sourced from PubChem (CID 77140020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).