1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine

C19H23NO2S — CID 91014564

IUPAC1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)C1CCN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H23NO2S/c1-2-14-23(21,22)19-12-13-20(15-19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3
InChIKeyLZRAUIXKIVSGFR-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.76
Rot. Bonds5

About 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine

1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine (PubChem CID 91014564) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine
PubChem CID91014564
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)C1CCN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H23NO2S/c1-2-14-23(21,22)19-12-13-20(15-19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3
InChIKeyLZRAUIXKIVSGFR-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(4-propylsulfonylphenyl)pyrrolidine
CID 80667428
1-(4-phenylphenyl)aziridine
CID 152682568
3-(4-propylsulfonylphenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314595
3-(2-bromoethyl)-1-(4-propylsulfonylphenyl)pyrrolidine
CID 114800832
1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
CID 113079079
[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961731
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910657
3-methylsulfonyl-1-phenylazetidine
CID 141441091
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 104892809
(2S)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
CID 97254316

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine?
The IUPAC name of 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine (CID 91014564) is 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine.
What is the SMILES notation for 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine?
The canonical SMILES for 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine is CCCS(=O)(=O)C1CCN(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine?
The InChIKey is LZRAUIXKIVSGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-2-14-23(21,22)19-12-13-20(15-19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3.
What are the key properties of 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine?
1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine has a molecular weight of 329.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-propylsulfonylpyrrolidine is sourced from PubChem (CID 91014564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).