2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine

C18H21NO4S — CID 51320512

IUPAC2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1cccc(C2CCCN2S(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H21NO4S/c1-22-15-8-5-7-14(13-15)16-9-6-12-19(16)24(20,21)18-11-4-3-10-17(18)23-2/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3
InChIKeyOXDISHIIKJTHSD-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.23
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine

2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine (PubChem CID 51320512) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
PubChem CID51320512
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1cccc(C2CCCN2S(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H21NO4S/c1-22-15-8-5-7-14(13-15)16-9-6-12-19(16)24(20,21)18-11-4-3-10-17(18)23-2/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3
InChIKeyOXDISHIIKJTHSD-UHFFFAOYSA-N
XLogP3.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
dimethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,4-dicarboxylate
CID 55508527
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17488650
4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 94579683
(3S)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 95131826
(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 98752346
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine (CID 51320512) is 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine is COc1cccc(C2CCCN2S(=O)(=O)c2ccccc2OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine?
The InChIKey is OXDISHIIKJTHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-15-8-5-7-14(13-15)16-9-6-12-19(16)24(20,21)18-11-4-3-10-17(18)23-2/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine?
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine has a molecular weight of 347.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51320512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).