1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine

C19H23NO2S — CID 50747098

IUPAC1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(C2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23NO2S/c1-14-7-10-17(11-8-14)18-5-4-12-20(18)23(21,22)19-13-15(2)6-9-16(19)3/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyDQKYNJINVZHCDW-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.14
Rot. Bonds3

About 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine

1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine (PubChem CID 50747098) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
PubChem CID50747098
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(C2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23NO2S/c1-14-7-10-17(11-8-14)18-5-4-12-20(18)23(21,22)19-13-15(2)6-9-16(19)3/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyDQKYNJINVZHCDW-UHFFFAOYSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-1-(2,5-dimethylphenyl)sulfonylazepane
CID 95079074
1-(2-methyl-5-nitrophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 55556292
(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
CID 92502946
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
1-(2,5-dimethylphenyl)sulfonyl-2-(5-methylthiophen-2-yl)azepane
CID 53096178
5-[(2S)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071706
(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 51856140
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-(2-chloroethyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine
CID 63397489
(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 40516561
(2S)-1-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95079257
N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 31812779

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine (CID 50747098) is 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine is Cc1ccc(C2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
The InChIKey is DQKYNJINVZHCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-7-10-17(11-8-14)18-5-4-12-20(18)23(21,22)19-13-15(2)6-9-16(19)3/h6-11,13,18H,4-5,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine has a molecular weight of 329.47 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine is sourced from PubChem (CID 50747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).