2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride

C9H9ClN2O3S — CID 81319842

IUPAC2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCc1ccc(C2CC(=O)N2S(=O)(=O)Cl)nc1
InChIInChI=1S/C9H9ClN2O3S/c1-6-2-3-7(11-5-6)8-4-9(13)12(8)16(10,14)15/h2-3,5,8H,4H2,1H3
InChIKeyAGHYEXRRFQMTKZ-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.15
Rot. Bonds2

About 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride

2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 81319842) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID81319842
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCc1ccc(C2CC(=O)N2S(=O)(=O)Cl)nc1
InChIInChI=1S/C9H9ClN2O3S/c1-6-2-3-7(11-5-6)8-4-9(13)12(8)16(10,14)15/h2-3,5,8H,4H2,1H3
InChIKeyAGHYEXRRFQMTKZ-UHFFFAOYSA-N
XLogP1.15
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride (CID 81319842) is 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride is Cc1ccc(C2CC(=O)N2S(=O)(=O)Cl)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is AGHYEXRRFQMTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c1-6-2-3-7(11-5-6)8-4-9(13)12(8)16(10,14)15/h2-3,5,8H,4H2,1H3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride?
2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 260.70 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 81319842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).