3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

C17H21NO3S — CID 110603860

IUPAC3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(c3ccco3)C2)c(C)c1
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-7-6-15(11-18)16-5-4-8-21-16/h4-5,8-10,15H,6-7,11H2,1-3H3
InChIKeyUNVKVXYBHFTROL-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.38
Rot. Bonds3

About 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (PubChem CID 110603860) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
PubChem CID110603860
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(c3ccco3)C2)c(C)c1
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-7-6-15(11-18)16-5-4-8-21-16/h4-5,8-10,15H,6-7,11H2,1-3H3
InChIKeyUNVKVXYBHFTROL-UHFFFAOYSA-N
XLogP3.38
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 110423892
3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 110423868
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146627881
3-(furan-2-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine
CID 110423895
3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 90509224
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846
3-(furan-2-yl)-1-[2-(2-methoxyethoxy)ethylsulfonyl]pyrrolidine
CID 110612213
N-[2-(furan-2-carbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43049249
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (CID 110603860) is 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is Cc1cc(C)c(S(=O)(=O)N2CCC(c3ccco3)C2)c(C)c1.
What is the InChIKey of 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The InChIKey is UNVKVXYBHFTROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-7-6-15(11-18)16-5-4-8-21-16/h4-5,8-10,15H,6-7,11H2,1-3H3.
What are the key properties of 3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine has a molecular weight of 319.43 g/mol, XLogP of 3.38, 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-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 110603860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).