3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine

C11H14BrClN2O2S — CID 1034227

IUPAC3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H14BrClN2O2S/c1-8-2-4-15(5-3-8)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3
InChIKeyKEGWMVZQSFVNSE-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.92
Rot. Bonds2

About 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine

3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 1034227) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID1034227
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H14BrClN2O2S/c1-8-2-4-15(5-3-8)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3
InChIKeyKEGWMVZQSFVNSE-UHFFFAOYSA-N
XLogP2.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine (CID 1034227) is 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine is CC1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1.
What is the InChIKey of 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is KEGWMVZQSFVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c1-8-2-4-15(5-3-8)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3.
What are the key properties of 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine?
3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 353.67 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 1034227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).