5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride

C11H11BrCl2N2O4S — CID 43121771

IUPAC5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
SMILESO=C1NCCN1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H11BrCl2N2O4S/c12-7-5-8(13)10(9(6-7)21(14,18)19)20-4-3-16-2-1-15-11(16)17/h5-6H,1-4H2,(H,15,17)
InChIKeyHTNIXPILMXIMRV-UHFFFAOYSA-N
MW418.10 g/mol
LogP2.43
Rot. Bonds5

About 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride

5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 43121771) has the molecular formula C11H11BrCl2N2O4S and a molecular weight of 418.10 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
PubChem CID43121771
Molecular FormulaC11H11BrCl2N2O4S
Molecular Weight418.10 g/mol
Exact Mass415.90
IUPAC Name5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
SMILESO=C1NCCN1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H11BrCl2N2O4S/c12-7-5-8(13)10(9(6-7)21(14,18)19)20-4-3-16-2-1-15-11(16)17/h5-6H,1-4H2,(H,15,17)
InChIKeyHTNIXPILMXIMRV-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.10
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride (CID 43121771) is 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride is O=C1NCCN1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is HTNIXPILMXIMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2N2O4S/c12-7-5-8(13)10(9(6-7)21(14,18)19)20-4-3-16-2-1-15-11(16)17/h5-6H,1-4H2,(H,15,17).
What are the key properties of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 418.10 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 43121771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).