2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine

C12H15ClFNO2S — CID 117471203

IUPAC2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1c(F)cc(C2CCCCN2)cc1Cl
InChIInChI=1S/C12H15ClFNO2S/c1-18(16,17)12-9(13)6-8(7-10(12)14)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3
InChIKeyXSZYHSOCBFKWJL-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.70
Rot. Bonds2

About 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine

2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine (PubChem CID 117471203) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
PubChem CID117471203
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.78 g/mol
Exact Mass291.05
IUPAC Name2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1c(F)cc(C2CCCCN2)cc1Cl
InChIInChI=1S/C12H15ClFNO2S/c1-18(16,17)12-9(13)6-8(7-10(12)14)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3
InChIKeyXSZYHSOCBFKWJL-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117445175
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463655
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine
CID 171195734
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
CID 117440261
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
CID 84801356
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(2-chloro-6-methylsulfonylphenyl)piperidine
CID 117437278
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
CID 117116358

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine?
The IUPAC name of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine (CID 117471203) is 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine?
The canonical SMILES for 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine is CS(=O)(=O)c1c(F)cc(C2CCCCN2)cc1Cl.
What is the InChIKey of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine?
The InChIKey is XSZYHSOCBFKWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c1-18(16,17)12-9(13)6-8(7-10(12)14)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3.
What are the key properties of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine?
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine has a molecular weight of 291.78 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117471203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).