3-fluoro-4-methoxypyridine-2-sulfonyl chloride

C6H5ClFNO3S — CID 130785648

IUPAC3-fluoro-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1ccnc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H5ClFNO3S/c1-12-4-2-3-9-6(5(4)8)13(7,10)11/h2-3H,1H3
InChIKeyJSFAZRKXYAAOJV-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.16
Rot. Bonds2

About 3-fluoro-4-methoxypyridine-2-sulfonyl chloride

3-fluoro-4-methoxypyridine-2-sulfonyl chloride (PubChem CID 130785648) has the molecular formula C6H5ClFNO3S and a molecular weight of 225.63 g/mol. Its IUPAC name is 3-fluoro-4-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-methoxypyridine-2-sulfonyl chloride
PubChem CID130785648
Molecular FormulaC6H5ClFNO3S
Molecular Weight225.63 g/mol
Exact Mass224.97
IUPAC Name3-fluoro-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1ccnc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H5ClFNO3S/c1-12-4-2-3-9-6(5(4)8)13(7,10)11/h2-3H,1H3
InChIKeyJSFAZRKXYAAOJV-UHFFFAOYSA-N
XLogP1.16
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methoxypyridine-2-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 3-fluoro-4-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 3-fluoro-4-methoxypyridine-2-sulfonyl chloride (CID 130785648) is 3-fluoro-4-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 3-fluoro-4-methoxypyridine-2-sulfonyl chloride is COc1ccnc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 3-fluoro-4-methoxypyridine-2-sulfonyl chloride?
The InChIKey is JSFAZRKXYAAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO3S/c1-12-4-2-3-9-6(5(4)8)13(7,10)11/h2-3H,1H3.
What are the key properties of 3-fluoro-4-methoxypyridine-2-sulfonyl chloride?
3-fluoro-4-methoxypyridine-2-sulfonyl chloride has a molecular weight of 225.63 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 130785648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).