1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine

C12H11BrCl2F3NO2S — CID 42912937

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H11BrCl2F3NO2S/c13-8-4-9(14)11(10(15)5-8)22(20,21)19-3-1-2-7(6-19)12(16,17)18/h4-5,7H,1-3,6H2
InChIKeyDFRRGLDXSFHVSI-UHFFFAOYSA-N
MW441.10 g/mol
LogP4.72
Rot. Bonds2

About 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 42912937) has the molecular formula C12H11BrCl2F3NO2S and a molecular weight of 441.10 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID42912937
Molecular FormulaC12H11BrCl2F3NO2S
Molecular Weight441.10 g/mol
Exact Mass438.90
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H11BrCl2F3NO2S/c13-8-4-9(14)11(10(15)5-8)22(20,21)19-3-1-2-7(6-19)12(16,17)18/h4-5,7H,1-3,6H2
InChIKeyDFRRGLDXSFHVSI-UHFFFAOYSA-N
XLogP4.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.10
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine 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 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine (CID 42912937) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is DFRRGLDXSFHVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2F3NO2S/c13-8-4-9(14)11(10(15)5-8)22(20,21)19-3-1-2-7(6-19)12(16,17)18/h4-5,7H,1-3,6H2.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 441.10 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 42912937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).