3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride

C10H14BrClN2O2S — CID 90320188

IUPAC3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride
SMILESCl.O=S(=O)(c1ncccc1Br)C1CCNCC1
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-9-2-1-5-13-10(9)16(14,15)8-3-6-12-7-4-8;/h1-2,5,8,12H,3-4,6-7H2;1H
InChIKeyJGFGAOXDADYAOY-UHFFFAOYSA-N
MW341.66 g/mol
LogP1.79
Rot. Bonds2

About 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride

3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride (PubChem CID 90320188) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride.

Molecular Properties

Compound Name3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride
PubChem CID90320188
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride
SMILESCl.O=S(=O)(c1ncccc1Br)C1CCNCC1
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-9-2-1-5-13-10(9)16(14,15)8-3-6-12-7-4-8;/h1-2,5,8,12H,3-4,6-7H2;1H
InChIKeyJGFGAOXDADYAOY-UHFFFAOYSA-N
XLogP1.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
3-nitro-2-piperidin-4-ylsulfonylpyridine
CID 71635613
4-(2-bromophenyl)sulfonylpiperidine
CID 11023104
3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71635607
4-piperidin-4-ylsulfonylpyridine;hydrochloride
CID 71645560
2-chloro-3-piperidin-4-ylsulfonylquinoxaline
CID 71639759
2-cyclopropylsulfonyl-3-nitropyridine
CID 153380489
3-nitro-2-piperidin-3-ylsulfonylpyridine
CID 71635609
pyridine;4-(1H-pyrrol-2-ylsulfonyl)piperidine
CID 174966978
3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
CID 71645608
3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride
CID 71638724
2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
CID 71645790

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride?
The IUPAC name of 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride (CID 90320188) is 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride.
What is the SMILES notation for 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride?
The canonical SMILES for 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride is Cl.O=S(=O)(c1ncccc1Br)C1CCNCC1.
What is the InChIKey of 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride?
The InChIKey is JGFGAOXDADYAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S.ClH/c11-9-2-1-5-13-10(9)16(14,15)8-3-6-12-7-4-8;/h1-2,5,8,12H,3-4,6-7H2;1H.
What are the key properties of 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride?
3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride has a molecular weight of 341.66 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride is sourced from PubChem (CID 90320188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).