1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride

C8H10ClNO4S — CID 172614361

IUPAC1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)ccc1=O
InChIInChI=1S/C8H10ClNO4S/c1-14-5-4-10-6-7(15(9,12)13)2-3-8(10)11/h2-3,6H,4-5H2,1H3
InChIKeyUCKDCRAVHCBULU-UHFFFAOYSA-N
MW251.69 g/mol
LogP0.42
Rot. Bonds4

About 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride

1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride (PubChem CID 172614361) has the molecular formula C8H10ClNO4S and a molecular weight of 251.69 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride
PubChem CID172614361
Molecular FormulaC8H10ClNO4S
Molecular Weight251.69 g/mol
Exact Mass251.00
IUPAC Name1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)ccc1=O
InChIInChI=1S/C8H10ClNO4S/c1-14-5-4-10-6-7(15(9,12)13)2-3-8(10)11/h2-3,6H,4-5H2,1H3
InChIKeyUCKDCRAVHCBULU-UHFFFAOYSA-N
XLogP0.42
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride?
The IUPAC name of 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride (CID 172614361) is 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride is COCCn1cc(S(=O)(=O)Cl)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride?
The InChIKey is UCKDCRAVHCBULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S/c1-14-5-4-10-6-7(15(9,12)13)2-3-8(10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride?
1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride has a molecular weight of 251.69 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxopyridine-3-sulfonyl chloride is sourced from PubChem (CID 172614361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).