2-bromo-4-(2-chlorophenyl)sulfonylpyridine

C11H7BrClNO2S — CID 166624895

IUPAC2-bromo-4-(2-chlorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccnc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C11H7BrClNO2S/c12-11-7-8(5-6-14-11)17(15,16)10-4-2-1-3-9(10)13/h1-7H
InChIKeyJRNXXHYZTYMAIZ-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.33
Rot. Bonds2

About 2-bromo-4-(2-chlorophenyl)sulfonylpyridine

2-bromo-4-(2-chlorophenyl)sulfonylpyridine (PubChem CID 166624895) has the molecular formula C11H7BrClNO2S and a molecular weight of 332.61 g/mol. Its IUPAC name is 2-bromo-4-(2-chlorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-bromo-4-(2-chlorophenyl)sulfonylpyridine
PubChem CID166624895
Molecular FormulaC11H7BrClNO2S
Molecular Weight332.61 g/mol
Exact Mass330.91
IUPAC Name2-bromo-4-(2-chlorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccnc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C11H7BrClNO2S/c12-11-7-8(5-6-14-11)17(15,16)10-4-2-1-3-9(10)13/h1-7H
InChIKeyJRNXXHYZTYMAIZ-UHFFFAOYSA-N
XLogP3.33
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.33
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-bromo-4-(2-chlorophenyl)sulfonylpyridine?
The IUPAC name of 2-bromo-4-(2-chlorophenyl)sulfonylpyridine (CID 166624895) is 2-bromo-4-(2-chlorophenyl)sulfonylpyridine.
What is the SMILES notation for 2-bromo-4-(2-chlorophenyl)sulfonylpyridine?
The canonical SMILES for 2-bromo-4-(2-chlorophenyl)sulfonylpyridine is O=S(=O)(c1ccnc(Br)c1)c1ccccc1Cl.
What is the InChIKey of 2-bromo-4-(2-chlorophenyl)sulfonylpyridine?
The InChIKey is JRNXXHYZTYMAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2S/c12-11-7-8(5-6-14-11)17(15,16)10-4-2-1-3-9(10)13/h1-7H.
What are the key properties of 2-bromo-4-(2-chlorophenyl)sulfonylpyridine?
2-bromo-4-(2-chlorophenyl)sulfonylpyridine has a molecular weight of 332.61 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-chlorophenyl)sulfonylpyridine is sourced from PubChem (CID 166624895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).