2-ethoxy-5-methylpyridine-3-sulfonyl chloride

C8H10ClNO3S — CID 129293116

IUPAC2-ethoxy-5-methylpyridine-3-sulfonyl chloride
SMILESCCOc1ncc(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H10ClNO3S/c1-3-13-8-7(14(9,11)12)4-6(2)5-10-8/h4-5H,3H2,1-2H3
InChIKeyXUOXOPLUJBIGLF-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.72
Rot. Bonds3

About 2-ethoxy-5-methylpyridine-3-sulfonyl chloride

2-ethoxy-5-methylpyridine-3-sulfonyl chloride (PubChem CID 129293116) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-ethoxy-5-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-ethoxy-5-methylpyridine-3-sulfonyl chloride
PubChem CID129293116
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name2-ethoxy-5-methylpyridine-3-sulfonyl chloride
SMILESCCOc1ncc(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H10ClNO3S/c1-3-13-8-7(14(9,11)12)4-6(2)5-10-8/h4-5H,3H2,1-2H3
InChIKeyXUOXOPLUJBIGLF-UHFFFAOYSA-N
XLogP1.72
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-ethoxy-5-methylpyridine-3-sulfonyl chloride (CID 129293116) is 2-ethoxy-5-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-ethoxy-5-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-ethoxy-5-methylpyridine-3-sulfonyl chloride is CCOc1ncc(C)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethoxy-5-methylpyridine-3-sulfonyl chloride?
The InChIKey is XUOXOPLUJBIGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-3-13-8-7(14(9,11)12)4-6(2)5-10-8/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-5-methylpyridine-3-sulfonyl chloride?
2-ethoxy-5-methylpyridine-3-sulfonyl chloride has a molecular weight of 235.69 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 129293116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).