2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine

C12H15F2NO2S — CID 117440261

IUPAC2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cc(F)c(F)c(C2CCCCN2)c1
InChIInChI=1S/C12H15F2NO2S/c1-18(16,17)8-6-9(12(14)10(13)7-8)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3
InChIKeyHZYXLMDAKRCJJT-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.18
Rot. Bonds2

About 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine

2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine (PubChem CID 117440261) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
PubChem CID117440261
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cc(F)c(F)c(C2CCCCN2)c1
InChIInChI=1S/C12H15F2NO2S/c1-18(16,17)8-6-9(12(14)10(13)7-8)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3
InChIKeyHZYXLMDAKRCJJT-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
CID 117396450
2-[(2,3-difluoro-5-methylsulfonylphenyl)methyl]piperidine
CID 117467481
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
CID 117403692
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
2-(3-methylsulfonylphenyl)azepane
CID 62544544
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine?
The IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine (CID 117440261) is 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine?
The canonical SMILES for 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine is CS(=O)(=O)c1cc(F)c(F)c(C2CCCCN2)c1.
What is the InChIKey of 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine?
The InChIKey is HZYXLMDAKRCJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-18(16,17)8-6-9(12(14)10(13)7-8)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3.
What are the key properties of 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine?
2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine has a molecular weight of 275.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117440261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).