2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride

C11H6BrClFNO3S — CID 112572968

IUPAC2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C11H6BrClFNO3S/c12-7-3-4-9(8(14)6-7)18-11-10(19(13,16)17)2-1-5-15-11/h1-6H
InChIKeyCZHLVXGLXZGFOZ-UHFFFAOYSA-N
MW366.60 g/mol
LogP3.70
Rot. Bonds3

About 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride

2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride (PubChem CID 112572968) has the molecular formula C11H6BrClFNO3S and a molecular weight of 366.60 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride
PubChem CID112572968
Molecular FormulaC11H6BrClFNO3S
Molecular Weight366.60 g/mol
Exact Mass364.89
IUPAC Name2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C11H6BrClFNO3S/c12-7-3-4-9(8(14)6-7)18-11-10(19(13,16)17)2-1-5-15-11/h1-6H
InChIKeyCZHLVXGLXZGFOZ-UHFFFAOYSA-N
XLogP3.70
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride 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 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride (CID 112572968) is 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cccnc1Oc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride?
The InChIKey is CZHLVXGLXZGFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNO3S/c12-7-3-4-9(8(14)6-7)18-11-10(19(13,16)17)2-1-5-15-11/h1-6H.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride?
2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride has a molecular weight of 366.60 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).