2-(2-chloro-6-methylsulfonylphenyl)piperidine

C12H16ClNO2S — CID 117437278

IUPAC2-(2-chloro-6-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cccc(Cl)c1C1CCCCN1
InChIInChI=1S/C12H16ClNO2S/c1-17(15,16)11-7-4-5-9(13)12(11)10-6-2-3-8-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyWRQOIRRAQGNVFW-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.56
Rot. Bonds2

About 2-(2-chloro-6-methylsulfonylphenyl)piperidine

2-(2-chloro-6-methylsulfonylphenyl)piperidine (PubChem CID 117437278) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-(2-chloro-6-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name2-(2-chloro-6-methylsulfonylphenyl)piperidine
PubChem CID117437278
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name2-(2-chloro-6-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cccc(Cl)c1C1CCCCN1
InChIInChI=1S/C12H16ClNO2S/c1-17(15,16)11-7-4-5-9(13)12(11)10-6-2-3-8-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyWRQOIRRAQGNVFW-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
4-methylsulfonyl-2-piperidin-2-yl-1H-benzimidazole
CID 82008772
2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
CID 117482426
2-(3-methylsulfonylphenyl)azepane
CID 62544544
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
2-methylsulfonyl-5-piperidin-2-ylphenol
CID 117391593
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylsulfonylphenyl)piperidine?
The IUPAC name of 2-(2-chloro-6-methylsulfonylphenyl)piperidine (CID 117437278) is 2-(2-chloro-6-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 2-(2-chloro-6-methylsulfonylphenyl)piperidine?
The canonical SMILES for 2-(2-chloro-6-methylsulfonylphenyl)piperidine is CS(=O)(=O)c1cccc(Cl)c1C1CCCCN1.
What is the InChIKey of 2-(2-chloro-6-methylsulfonylphenyl)piperidine?
The InChIKey is WRQOIRRAQGNVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-17(15,16)11-7-4-5-9(13)12(11)10-6-2-3-8-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3.
What are the key properties of 2-(2-chloro-6-methylsulfonylphenyl)piperidine?
2-(2-chloro-6-methylsulfonylphenyl)piperidine has a molecular weight of 273.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117437278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).