3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine

C15H17NO3S — CID 110423892

IUPAC3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccccc1S(=O)(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C15H17NO3S/c1-12-5-2-3-7-15(12)20(17,18)16-9-8-13(11-16)14-6-4-10-19-14/h2-7,10,13H,8-9,11H2,1H3
InChIKeyGGVTWAJVWANQJQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.77
Rot. Bonds3

About 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine

3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine (PubChem CID 110423892) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine
PubChem CID110423892
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccccc1S(=O)(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C15H17NO3S/c1-12-5-2-3-7-15(12)20(17,18)16-9-8-13(11-16)14-6-4-10-19-14/h2-7,10,13H,8-9,11H2,1H3
InChIKeyGGVTWAJVWANQJQ-UHFFFAOYSA-N
XLogP2.77
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 110603860
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055
5-(2-methylphenyl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917723
3-(2-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989146
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
3-(furan-2-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine
CID 110423895
3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine
CID 110612213
7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine
CID 110091226

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine (CID 110423892) is 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine is Cc1ccccc1S(=O)(=O)N1CCC(c2ccco2)C1.
What is the InChIKey of 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine?
The InChIKey is GGVTWAJVWANQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-5-2-3-7-15(12)20(17,18)16-9-8-13(11-16)14-6-4-10-19-14/h2-7,10,13H,8-9,11H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine?
3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine has a molecular weight of 291.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 110423892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).