3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine

C11H14BrClN2O2S — CID 63397000

IUPAC3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CCCCC1CCl
InChIInChI=1S/C11H14BrClN2O2S/c12-9-5-11(8-14-7-9)18(16,17)15-4-2-1-3-10(15)6-13/h5,7-8,10H,1-4,6H2
InChIKeyKTGQVUVMUPIOBT-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.63
Rot. Bonds3

About 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine

3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine (PubChem CID 63397000) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
PubChem CID63397000
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CCCCC1CCl
InChIInChI=1S/C11H14BrClN2O2S/c12-9-5-11(8-14-7-9)18(16,17)15-4-2-1-3-10(15)6-13/h5,7-8,10H,1-4,6H2
InChIKeyKTGQVUVMUPIOBT-UHFFFAOYSA-N
XLogP2.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 66260969
1-[1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889438
N-ethyl-5-(2-ethylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 82223007
2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610
1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine
CID 63396570
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine
CID 79989386
1-[(5-bromo-3-pyridinyl)sulfonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197733
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991049
3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63175235
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine (CID 63397000) is 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cncc(Br)c1)N1CCCCC1CCl.
What is the InChIKey of 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is KTGQVUVMUPIOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-9-5-11(8-14-7-9)18(16,17)15-4-2-1-3-10(15)6-13/h5,7-8,10H,1-4,6H2.
What are the key properties of 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine?
3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 353.67 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 63397000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).