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

C11H12ClFN2O4S — CID 62103868

IUPAC5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
SMILESO=C1NCCN1CCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClFN2O4S/c12-20(17,18)10-7-8(13)1-2-9(10)19-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6H2,(H,14,16)
InChIKeyWCDAIFQTPRWKJP-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.16
Rot. Bonds5

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

5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 62103868) has the molecular formula C11H12ClFN2O4S and a molecular weight of 322.75 g/mol. Its IUPAC name is 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
PubChem CID62103868
Molecular FormulaC11H12ClFN2O4S
Molecular Weight322.75 g/mol
Exact Mass322.02
IUPAC Name5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
SMILESO=C1NCCN1CCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClFN2O4S/c12-20(17,18)10-7-8(13)1-2-9(10)19-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6H2,(H,14,16)
InChIKeyWCDAIFQTPRWKJP-UHFFFAOYSA-N
XLogP1.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride (CID 62103868) is 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride is O=C1NCCN1CCOc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is WCDAIFQTPRWKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O4S/c12-20(17,18)10-7-8(13)1-2-9(10)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-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride?
5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 322.75 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 62103868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).