2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine

C21H27NO4S — CID 18146777

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine
SMILESCCCc1ccc(S(=O)(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4S/c1-4-6-16-8-11-18(12-9-16)27(23,24)22-14-5-7-19(22)17-10-13-20(25-2)21(15-17)26-3/h8-13,15,19H,4-7,14H2,1-3H3
InChIKeyLAYFBZRFKVJETR-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.18
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine

2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine (PubChem CID 18146777) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine
PubChem CID18146777
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine
SMILESCCCc1ccc(S(=O)(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4S/c1-4-6-16-8-11-18(12-9-16)27(23,24)22-14-5-7-19(22)17-10-13-20(25-2)21(15-17)26-3/h8-13,15,19H,4-7,14H2,1-3H3
InChIKeyLAYFBZRFKVJETR-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 25472225
3-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 25472243
1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 18146774
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 9190253
(2R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylazepane
CID 95079108
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine (CID 18146777) is 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine is CCCc1ccc(S(=O)(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine?
The InChIKey is LAYFBZRFKVJETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-4-6-16-8-11-18(12-9-16)27(23,24)22-14-5-7-19(22)17-10-13-20(25-2)21(15-17)26-3/h8-13,15,19H,4-7,14H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine?
2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine has a molecular weight of 389.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 18146777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).