1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine

C12H13BrF3NO2S — CID 2928083

IUPAC1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13BrF3NO2S/c13-10-3-5-11(6-4-10)20(18,19)17-7-1-2-9(8-17)12(14,15)16/h3-6,9H,1-2,7-8H2
InChIKeyFNHCTSOARXZTLH-UHFFFAOYSA-N
MW372.21 g/mol
LogP3.41
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine

1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 2928083) has the molecular formula C12H13BrF3NO2S and a molecular weight of 372.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID2928083
Molecular FormulaC12H13BrF3NO2S
Molecular Weight372.21 g/mol
Exact Mass370.98
IUPAC Name1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13BrF3NO2S/c13-10-3-5-11(6-4-10)20(18,19)17-7-1-2-9(8-17)12(14,15)16/h3-6,9H,1-2,7-8H2
InChIKeyFNHCTSOARXZTLH-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine
CID 122530637
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47006010
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096
2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 170459185
1-(2-bromo-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 61060723
3-fluoro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 63322882
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 1231349
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
1-(2-tert-butyl-4-methylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 70913404

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine (CID 2928083) is 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1ccc(Br)cc1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is FNHCTSOARXZTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2S/c13-10-3-5-11(6-4-10)20(18,19)17-7-1-2-9(8-17)12(14,15)16/h3-6,9H,1-2,7-8H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 372.21 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 2928083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).