3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride

C13H11Cl2NO4S — CID 82911095

IUPAC3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride
SMILESO=c1ccccn1CCOc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO4S/c14-11-9-10(21(15,18)19)4-5-12(11)20-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8H2
InChIKeyRTWJYLBDURKVAN-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.51
Rot. Bonds5

About 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride

3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride (PubChem CID 82911095) has the molecular formula C13H11Cl2NO4S and a molecular weight of 348.21 g/mol. Its IUPAC name is 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride
PubChem CID82911095
Molecular FormulaC13H11Cl2NO4S
Molecular Weight348.21 g/mol
Exact Mass346.98
IUPAC Name3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride
SMILESO=c1ccccn1CCOc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO4S/c14-11-9-10(21(15,18)19)4-5-12(11)20-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8H2
InChIKeyRTWJYLBDURKVAN-UHFFFAOYSA-N
XLogP2.51
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride (CID 82911095) is 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride is O=c1ccccn1CCOc1ccc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride?
The InChIKey is RTWJYLBDURKVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S/c14-11-9-10(21(15,18)19)4-5-12(11)20-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8H2.
What are the key properties of 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride?
3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride has a molecular weight of 348.21 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82911095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).