2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine

C19H23NO4S — CID 51335834

IUPAC2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC2Cc2ccccc2)c1
InChIInChI=1S/C19H23NO4S/c1-23-17-10-11-18(24-2)19(14-17)25(21,22)20-12-6-9-16(20)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3
InChIKeyUMUCVKGAPWUEIL-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.10
Rot. Bonds6

About 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine

2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine (PubChem CID 51335834) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
PubChem CID51335834
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC2Cc2ccccc2)c1
InChIInChI=1S/C19H23NO4S/c1-23-17-10-11-18(24-2)19(14-17)25(21,22)20-12-6-9-16(20)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3
InChIKeyUMUCVKGAPWUEIL-UHFFFAOYSA-N
XLogP3.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonylmethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 90585735
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
3-(2-benzylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine
CID 166330625
[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272
1-[(4aR,7aR)-1-(2,5-dimethoxyphenyl)sulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 46956605
(4aS,8aR)-4-(2,5-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51984083
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine (CID 51335834) is 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine is COc1ccc(OC)c(S(=O)(=O)N2CCCC2Cc2ccccc2)c1.
What is the InChIKey of 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
The InChIKey is UMUCVKGAPWUEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-23-17-10-11-18(24-2)19(14-17)25(21,22)20-12-6-9-16(20)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3.
What are the key properties of 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine has a molecular weight of 361.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51335834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).