2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine

C13H18ClNO2S — CID 115071203

IUPAC2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CCc1ccc(Cl)cc1)CC1CCCN1
InChIInChI=1S/C13H18ClNO2S/c14-12-5-3-11(4-6-12)7-9-18(16,17)10-13-2-1-8-15-13/h3-6,13,15H,1-2,7-10H2
InChIKeyWBTUPOQANPKZCG-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine

2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine (PubChem CID 115071203) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
PubChem CID115071203
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CCc1ccc(Cl)cc1)CC1CCCN1
InChIInChI=1S/C13H18ClNO2S/c14-12-5-3-11(4-6-12)7-9-18(16,17)10-13-2-1-8-15-13/h3-6,13,15H,1-2,7-10H2
InChIKeyWBTUPOQANPKZCG-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228
(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736
2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071181
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine (CID 115071203) is 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine is O=S(=O)(CCc1ccc(Cl)cc1)CC1CCCN1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine?
The InChIKey is WBTUPOQANPKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c14-12-5-3-11(4-6-12)7-9-18(16,17)10-13-2-1-8-15-13/h3-6,13,15H,1-2,7-10H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine?
2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine has a molecular weight of 287.81 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine is sourced from PubChem (CID 115071203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).