2-ethoxypyridine-3-sulfonyl chloride

C7H8ClNO3S — CID 112691059

IUPAC2-ethoxypyridine-3-sulfonyl chloride
SMILESCCOc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C7H8ClNO3S/c1-2-12-7-6(13(8,10)11)4-3-5-9-7/h3-5H,2H2,1H3
InChIKeyGFMIPFLGOBWPCN-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.41
Rot. Bonds3

About 2-ethoxypyridine-3-sulfonyl chloride

2-ethoxypyridine-3-sulfonyl chloride (PubChem CID 112691059) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-ethoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-ethoxypyridine-3-sulfonyl chloride
PubChem CID112691059
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name2-ethoxypyridine-3-sulfonyl chloride
SMILESCCOc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C7H8ClNO3S/c1-2-12-7-6(13(8,10)11)4-3-5-9-7/h3-5H,2H2,1H3
InChIKeyGFMIPFLGOBWPCN-UHFFFAOYSA-N
XLogP1.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypyridine-3-sulfonyl chloride?
The IUPAC name of 2-ethoxypyridine-3-sulfonyl chloride (CID 112691059) is 2-ethoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-ethoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 2-ethoxypyridine-3-sulfonyl chloride is CCOc1ncccc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethoxypyridine-3-sulfonyl chloride?
The InChIKey is GFMIPFLGOBWPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c1-2-12-7-6(13(8,10)11)4-3-5-9-7/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxypyridine-3-sulfonyl chloride?
2-ethoxypyridine-3-sulfonyl chloride has a molecular weight of 221.66 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 112691059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).