(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine

C13H16BrF2NO2S — CID 104968320

IUPAC(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H16BrF2NO2S/c1-8-4-3-5-9(2)17(8)20(18,19)13-11(14)6-10(15)7-12(13)16/h6-9H,3-5H2,1-2H3/t8-,9+
InChIKeyKXTNEYQYRRJHSN-DTORHVGOSA-N
MW368.24 g/mol
LogP3.68
Rot. Bonds2

About (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine

(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 104968320) has the molecular formula C13H16BrF2NO2S and a molecular weight of 368.24 g/mol. Its IUPAC name is (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine
PubChem CID104968320
Molecular FormulaC13H16BrF2NO2S
Molecular Weight368.24 g/mol
Exact Mass367.01
IUPAC Name(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H16BrF2NO2S/c1-8-4-3-5-9(2)17(8)20(18,19)13-11(14)6-10(15)7-12(13)16/h6-9H,3-5H2,1-2H3/t8-,9+
InChIKeyKXTNEYQYRRJHSN-DTORHVGOSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine (CID 104968320) is (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is KXTNEYQYRRJHSN-DTORHVGOSA-N. The full InChI is InChI=1S/C13H16BrF2NO2S/c1-8-4-3-5-9(2)17(8)20(18,19)13-11(14)6-10(15)7-12(13)16/h6-9H,3-5H2,1-2H3/t8-,9+.
What are the key properties of (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine?
(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 368.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 104968320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).