2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine

C13H18ClNO2S — CID 61384264

IUPAC2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2S/c1-2-9-18(16,17)15-8-4-7-13(15)11-5-3-6-12(14)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3
InChIKeyJLHBZOFBOMFTIF-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine

2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine (PubChem CID 61384264) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
PubChem CID61384264
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2S/c1-2-9-18(16,17)15-8-4-7-13(15)11-5-3-6-12(14)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3
InChIKeyJLHBZOFBOMFTIF-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-methylphenyl)-1-propylsulfonylazepane
CID 95078889
(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine
CID 51855861
2-(3,4-dichlorophenyl)-1-ethylsulfonylpyrrolidine
CID 61356195
2-(3-bromophenyl)-1-(3-chloropropylsulfonyl)pyrrolidine
CID 54877163
(2R)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072811
(2S)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072812
(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
CID 97332250
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine
CID 157382871
1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 18146774
2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine
CID 138014984

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine?
The IUPAC name of 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine (CID 61384264) is 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine?
The canonical SMILES for 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine?
The InChIKey is JLHBZOFBOMFTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-2-9-18(16,17)15-8-4-7-13(15)11-5-3-6-12(14)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine?
2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine has a molecular weight of 287.81 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 61384264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).