5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride

C11H12BrClN2O4S — CID 62104932

IUPAC5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
SMILESO=C1NCCN1CCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H12BrClN2O4S/c12-8-1-2-9(10(7-8)20(13,17)18)19-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6H2,(H,14,16)
InChIKeySNLOSIRUMFYANY-UHFFFAOYSA-N
MW383.65 g/mol
LogP1.78
Rot. Bonds5

About 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride

5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 62104932) has the molecular formula C11H12BrClN2O4S and a molecular weight of 383.65 g/mol. Its IUPAC name is 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
PubChem CID62104932
Molecular FormulaC11H12BrClN2O4S
Molecular Weight383.65 g/mol
Exact Mass381.94
IUPAC Name5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
SMILESO=C1NCCN1CCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H12BrClN2O4S/c12-8-1-2-9(10(7-8)20(13,17)18)19-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6H2,(H,14,16)
InChIKeySNLOSIRUMFYANY-UHFFFAOYSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride (CID 62104932) is 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride is O=C1NCCN1CCOc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is SNLOSIRUMFYANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O4S/c12-8-1-2-9(10(7-8)20(13,17)18)19-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 383.65 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 62104932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).