2-oxo-2-pyridin-3-ylethanesulfonyl chloride

C7H6ClNO3S — CID 98464535

IUPAC2-oxo-2-pyridin-3-ylethanesulfonyl chloride
SMILESO=C(CS(=O)(=O)Cl)c1cccnc1
InChIInChI=1S/C7H6ClNO3S/c8-13(11,12)5-7(10)6-2-1-3-9-4-6/h1-4H,5H2
InChIKeyOGBHEZGRUCWNRF-UHFFFAOYSA-N
MW219.65 g/mol
LogP0.83
Rot. Bonds3

About 2-oxo-2-pyridin-3-ylethanesulfonyl chloride

2-oxo-2-pyridin-3-ylethanesulfonyl chloride (PubChem CID 98464535) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is 2-oxo-2-pyridin-3-ylethanesulfonyl chloride.

Molecular Properties

Compound Name2-oxo-2-pyridin-3-ylethanesulfonyl chloride
PubChem CID98464535
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name2-oxo-2-pyridin-3-ylethanesulfonyl chloride
SMILESO=C(CS(=O)(=O)Cl)c1cccnc1
InChIInChI=1S/C7H6ClNO3S/c8-13(11,12)5-7(10)6-2-1-3-9-4-6/h1-4H,5H2
InChIKeyOGBHEZGRUCWNRF-UHFFFAOYSA-N
XLogP0.83
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
CID 172748531
CID 172748531
neodymium(3+);pyridine-3-carboxylate
CID 23619365
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439
1-pyridin-3-ylpentan-1-one
CID 12648543
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
1-[6-(3-oxo-3-pyridin-3-ylpropanoyl)-2-pyridinyl]-3-pyridin-3-ylpropane-1,3-dione
CID 123224159
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 157283677
CID 157283677

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-pyridin-3-ylethanesulfonyl chloride?
The IUPAC name of 2-oxo-2-pyridin-3-ylethanesulfonyl chloride (CID 98464535) is 2-oxo-2-pyridin-3-ylethanesulfonyl chloride.
What is the SMILES notation for 2-oxo-2-pyridin-3-ylethanesulfonyl chloride?
The canonical SMILES for 2-oxo-2-pyridin-3-ylethanesulfonyl chloride is O=C(CS(=O)(=O)Cl)c1cccnc1.
What is the InChIKey of 2-oxo-2-pyridin-3-ylethanesulfonyl chloride?
The InChIKey is OGBHEZGRUCWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-13(11,12)5-7(10)6-2-1-3-9-4-6/h1-4H,5H2.
What are the key properties of 2-oxo-2-pyridin-3-ylethanesulfonyl chloride?
2-oxo-2-pyridin-3-ylethanesulfonyl chloride has a molecular weight of 219.65 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-pyridin-3-ylethanesulfonyl chloride is sourced from PubChem (CID 98464535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).