2-oxo-1H-pyridine-4-sulfonyl chloride

C5H4ClNO3S — CID 105447694

IUPAC2-oxo-1H-pyridine-4-sulfonyl chloride
SMILESO=c1cc(S(=O)(=O)Cl)cc[nH]1
InChIInChI=1S/C5H4ClNO3S/c6-11(9,10)4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeyKZKGPDACAWEPCP-UHFFFAOYSA-N
MW193.61 g/mol
LogP0.30
Rot. Bonds1

About 2-oxo-1H-pyridine-4-sulfonyl chloride

2-oxo-1H-pyridine-4-sulfonyl chloride (PubChem CID 105447694) has the molecular formula C5H4ClNO3S and a molecular weight of 193.61 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-1H-pyridine-4-sulfonyl chloride
PubChem CID105447694
Molecular FormulaC5H4ClNO3S
Molecular Weight193.61 g/mol
Exact Mass192.96
IUPAC Name2-oxo-1H-pyridine-4-sulfonyl chloride
SMILESO=c1cc(S(=O)(=O)Cl)cc[nH]1
InChIInChI=1S/C5H4ClNO3S/c6-11(9,10)4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeyKZKGPDACAWEPCP-UHFFFAOYSA-N
XLogP0.30
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.61
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-4-sulfonyl chloride?
The IUPAC name of 2-oxo-1H-pyridine-4-sulfonyl chloride (CID 105447694) is 2-oxo-1H-pyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-oxo-1H-pyridine-4-sulfonyl chloride?
The canonical SMILES for 2-oxo-1H-pyridine-4-sulfonyl chloride is O=c1cc(S(=O)(=O)Cl)cc[nH]1.
What is the InChIKey of 2-oxo-1H-pyridine-4-sulfonyl chloride?
The InChIKey is KZKGPDACAWEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO3S/c6-11(9,10)4-1-2-7-5(8)3-4/h1-3H,(H,7,8).
What are the key properties of 2-oxo-1H-pyridine-4-sulfonyl chloride?
2-oxo-1H-pyridine-4-sulfonyl chloride has a molecular weight of 193.61 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridine-4-sulfonyl chloride is sourced from PubChem (CID 105447694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).