2-chloro-5-piperidin-1-ylsulfonylpyridine

C10H13ClN2O2S — CID 2433201

IUPAC2-chloro-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCCC1
InChIInChI=1S/C10H13ClN2O2S/c11-10-5-4-9(8-12-10)16(14,15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyDIZNLVKQRLBFHI-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.91
Rot. Bonds2

About 2-chloro-5-piperidin-1-ylsulfonylpyridine

2-chloro-5-piperidin-1-ylsulfonylpyridine (PubChem CID 2433201) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonylpyridine
PubChem CID2433201
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-chloro-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCCC1
InChIInChI=1S/C10H13ClN2O2S/c11-10-5-4-9(8-12-10)16(14,15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyDIZNLVKQRLBFHI-UHFFFAOYSA-N
XLogP1.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-piperidin-1-ylsulfonylpyridine?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonylpyridine (CID 2433201) is 2-chloro-5-piperidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(Cl)nc1)N1CCCCC1.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonylpyridine?
The InChIKey is DIZNLVKQRLBFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-10-5-4-9(8-12-10)16(14,15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2.
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonylpyridine?
2-chloro-5-piperidin-1-ylsulfonylpyridine has a molecular weight of 260.75 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperidin-1-ylsulfonylpyridine is sourced from PubChem (CID 2433201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).