2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole

C23H23NO3S — CID 70128529

IUPAC2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole
SMILESC=CC1CC(c2ccccc2)OC1c1cccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO3S/c1-3-18-16-22(19-8-5-4-6-9-19)27-23(18)21-10-7-15-24(21)28(25,26)20-13-11-17(2)12-14-20/h3-15,18,22-23H,1,16H2,2H3
InChIKeyNDMAOUJHKRTKPH-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.04
Rot. Bonds5

About 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole

2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 70128529) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID70128529
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole
SMILESC=CC1CC(c2ccccc2)OC1c1cccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO3S/c1-3-18-16-22(19-8-5-4-6-9-19)27-23(18)21-10-7-15-24(21)28(25,26)20-13-11-17(2)12-14-20/h3-15,18,22-23H,1,16H2,2H3
InChIKeyNDMAOUJHKRTKPH-UHFFFAOYSA-N
XLogP5.04
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-ethenyl-5-(4-nitrophenyl)oxolan-2-yl]-1-(4-methylphenyl)sulfonylpyrrole
CID 70125369
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
CID 102530463
4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydro-1,4-benzoxazine
CID 86212473
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazinane
CID 16731482
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
CID 23737166
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-propyl-1,3-oxazinane
CID 102081459
(1R,4R,6S)-6-ethenyl-2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane
CID 50900433

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole (CID 70128529) is 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole is C=CC1CC(c2ccccc2)OC1c1cccn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is NDMAOUJHKRTKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-3-18-16-22(19-8-5-4-6-9-19)27-23(18)21-10-7-15-24(21)28(25,26)20-13-11-17(2)12-14-20/h3-15,18,22-23H,1,16H2,2H3.
What are the key properties of 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole?
2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 393.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 70128529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).