(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine

C19H23NO4S — CID 51856148

IUPAC(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1OC
InChIInChI=1S/C19H23NO4S/c1-14-7-4-5-8-16(14)17-9-6-12-20(17)25(21,22)15-10-11-18(23-2)19(13-15)24-3/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3/t17-/m1/s1
InChIKeyVHPGCTMCRMUCJH-QGZVFWFLSA-N
MW361.46 g/mol
LogP3.54
Rot. Bonds5

About (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine

(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine (PubChem CID 51856148) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
PubChem CID51856148
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1OC
InChIInChI=1S/C19H23NO4S/c1-14-7-4-5-8-16(14)17-9-6-12-20(17)25(21,22)15-10-11-18(23-2)19(13-15)24-3/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3/t17-/m1/s1
InChIKeyVHPGCTMCRMUCJH-QGZVFWFLSA-N
XLogP3.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
4-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 47001516
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 26821437
5-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732059
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 26531225
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 40920974
(4aS,8aS)-1-(3,4-dimethoxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926545
(2R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylazepane
CID 95079108
3-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 47002052
3-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92894002

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The IUPAC name of (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine (CID 51856148) is (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The canonical SMILES for (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine is COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1OC.
What is the InChIKey of (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The InChIKey is VHPGCTMCRMUCJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-7-4-5-8-16(14)17-9-6-12-20(17)25(21,22)15-10-11-18(23-2)19(13-15)24-3/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine has a molecular weight of 361.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 51856148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).