2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine

C11H14ClNO2S — CID 117403692

IUPAC2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(Cl)c(C2CCCN2)c1
InChIInChI=1S/C11H14ClNO2S/c1-16(14,15)8-4-5-10(12)9(7-8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyWTXRVYPMOQBMCK-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.17
Rot. Bonds2

About 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine

2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine (PubChem CID 117403692) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
PubChem CID117403692
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(Cl)c(C2CCCN2)c1
InChIInChI=1S/C11H14ClNO2S/c1-16(14,15)8-4-5-10(12)9(7-8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyWTXRVYPMOQBMCK-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
CID 162344454
2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
CID 117440261
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
CID 117489419
2-(3-methylsulfonylphenyl)azepane
CID 62544544
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117445175
2-[2-chloro-5-(difluoromethyl)phenyl]piperidine
CID 84705366
(2R)-2-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519430
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine (CID 117403692) is 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine is CS(=O)(=O)c1ccc(Cl)c(C2CCCN2)c1.
What is the InChIKey of 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine?
The InChIKey is WTXRVYPMOQBMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-16(14,15)8-4-5-10(12)9(7-8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3.
What are the key properties of 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine?
2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine has a molecular weight of 259.76 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 117403692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).