3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

C20H21NO2S — CID 135054306

IUPAC3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCc1ccc(/C=C/C2=CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H21NO2S/c1-16-3-7-18(8-4-16)9-10-19-13-14-21(15-19)24(22,23)20-11-5-17(2)6-12-20/h3-13H,14-15H2,1-2H3/b10-9+
InChIKeyONKZPBNCTWNCSU-MDZDMXLPSA-N
MW339.46 g/mol
LogP3.95
Rot. Bonds4

About 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (PubChem CID 135054306) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
PubChem CID135054306
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCc1ccc(/C=C/C2=CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H21NO2S/c1-16-3-7-18(8-4-16)9-10-19-13-14-21(15-19)24(22,23)20-11-5-17(2)6-12-20/h3-13H,14-15H2,1-2H3/b10-9+
InChIKeyONKZPBNCTWNCSU-MDZDMXLPSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole
CID 153475099
3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene
CID 134866059
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 73050935
(3Z,8E)-3-methyl-1-(4-methylphenyl)sulfonyl-5,6,7,10-tetrahydro-2H-azecine
CID 177481345
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
3-(3-methylbut-2-en-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101172518
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003
1-(4-fluorophenyl)sulfonyl-2,5-dihydropyrrole-3-carbaldehyde
CID 138546884
(6Z)-1-(4-methylphenyl)sulfonyl-2,4,5,8-tetrahydroazocin-3-one
CID 102167757
3-methylidene-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,4-dihydropyridine
CID 132937595
trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane
CID 101388735

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The IUPAC name of 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (CID 135054306) is 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The canonical SMILES for 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is Cc1ccc(/C=C/C2=CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The InChIKey is ONKZPBNCTWNCSU-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-16-3-7-18(8-4-16)9-10-19-13-14-21(15-19)24(22,23)20-11-5-17(2)6-12-20/h3-13H,14-15H2,1-2H3/b10-9+.
What are the key properties of 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole has a molecular weight of 339.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is sourced from PubChem (CID 135054306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).