2-[2-(4-bromophenyl)sulfonylethyl]piperidine

C13H18BrNO2S — CID 134086037

IUPAC2-[2-(4-bromophenyl)sulfonylethyl]piperidine
SMILESO=S(=O)(CCC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c14-11-4-6-13(7-5-11)18(16,17)10-8-12-3-1-2-9-15-12/h4-7,12,15H,1-3,8-10H2
InChIKeyHQIGDGYZEYSPDE-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(4-bromophenyl)sulfonylethyl]piperidine

2-[2-(4-bromophenyl)sulfonylethyl]piperidine (PubChem CID 134086037) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfonylethyl]piperidine
PubChem CID134086037
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-[2-(4-bromophenyl)sulfonylethyl]piperidine
SMILESO=S(=O)(CCC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c14-11-4-6-13(7-5-11)18(16,17)10-8-12-3-1-2-9-15-12/h4-7,12,15H,1-3,8-10H2
InChIKeyHQIGDGYZEYSPDE-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372
2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615516
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
CID 112741662
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]piperidine?
The IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]piperidine (CID 134086037) is 2-[2-(4-bromophenyl)sulfonylethyl]piperidine.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfonylethyl]piperidine?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfonylethyl]piperidine is O=S(=O)(CCC1CCCCN1)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfonylethyl]piperidine?
The InChIKey is HQIGDGYZEYSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c14-11-4-6-13(7-5-11)18(16,17)10-8-12-3-1-2-9-15-12/h4-7,12,15H,1-3,8-10H2.
What are the key properties of 2-[2-(4-bromophenyl)sulfonylethyl]piperidine?
2-[2-(4-bromophenyl)sulfonylethyl]piperidine has a molecular weight of 332.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfonylethyl]piperidine is sourced from PubChem (CID 134086037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).