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

C12H12BrClF3NO2S — CID 106546366

IUPAC1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H12BrClF3NO2S/c13-10-7-9(1-2-11(10)14)21(19,20)18-5-3-8(4-6-18)12(15,16)17/h1-2,7-8H,3-6H2
InChIKeyUPIIJGGNHALCPL-UHFFFAOYSA-N
MW406.65 g/mol
LogP4.07
Rot. Bonds2

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

1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine (PubChem CID 106546366) has the molecular formula C12H12BrClF3NO2S and a molecular weight of 406.65 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
PubChem CID106546366
Molecular FormulaC12H12BrClF3NO2S
Molecular Weight406.65 g/mol
Exact Mass404.94
IUPAC Name1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H12BrClF3NO2S/c13-10-7-9(1-2-11(10)14)21(19,20)18-5-3-8(4-6-18)12(15,16)17/h1-2,7-8H,3-6H2
InChIKeyUPIIJGGNHALCPL-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

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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
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
1-(4-Bromo-2-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
CID 65532631
1-(3-Bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 106545197
3-bromo-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106545481

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine (CID 106546366) is 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine is O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The InChIKey is UPIIJGGNHALCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClF3NO2S/c13-10-7-9(1-2-11(10)14)21(19,20)18-5-3-8(4-6-18)12(15,16)17/h1-2,7-8H,3-6H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine?
1-(3-bromo-4-chlorophenyl)sulfonyl-4-(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-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106546366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).