1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine

C12H12BrClF3NO2S — CID 106545197

IUPAC1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H12BrClF3NO2S/c13-10-6-9(3-4-11(10)14)21(19,20)18-5-1-2-8(7-18)12(15,16)17/h3-4,6,8H,1-2,5,7H2
InChIKeyJLBAACSJXOGWBR-UHFFFAOYSA-N
MW406.65 g/mol
LogP4.07
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine

1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 106545197) has the molecular formula C12H12BrClF3NO2S and a molecular weight of 406.65 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID106545197
Molecular FormulaC12H12BrClF3NO2S
Molecular Weight406.65 g/mol
Exact Mass404.94
IUPAC Name1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H12BrClF3NO2S/c13-10-6-9(3-4-11(10)14)21(19,20)18-5-1-2-8(7-18)12(15,16)17/h3-4,6,8H,1-2,5,7H2
InChIKeyJLBAACSJXOGWBR-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-chlorophenyl)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

Related Compounds

1-[(4-Chlorophenyl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 2927924
1-[(2-Bromo-4-chlorophenyl)sulfonyl]piperidine
CID 772156
1-[(2-Bromo-4-chlorophenyl)sulfonyl]-4-methylpiperidine
CID 1068611
1-[(4-Chlorophenyl)sulfonyl]-4-(trifluoromethyl)piperidine
CID 102449316
(3R)-1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 706417
(3S)-1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 706419
(3R)-1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 31481793
(3S)-1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 31481794
1-(4-Bromo-2,6-dichlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 42912937
1-(4-Bromo-2-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 60639323
1-(3-Bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 60639328
1-(3-Bromophenyl)sulfonyl-4-(trifluoromethyl)piperidine
CID 65530889

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine (CID 106545197) is 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is JLBAACSJXOGWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClF3NO2S/c13-10-6-9(3-4-11(10)14)21(19,20)18-5-1-2-8(7-18)12(15,16)17/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 406.65 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 106545197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).