2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide

C11H11FN2O4S — CID 90518632

IUPAC2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccon1
InChIInChI=1S/C11H11FN2O4S/c12-9-1-3-10(4-2-9)17-7-8-19(15,16)14-11-5-6-18-13-11/h1-6H,7-8H2,(H,13,14)
InChIKeyBCCNEOBOBMLHMJ-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.63
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide

2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide (PubChem CID 90518632) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide
PubChem CID90518632
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccon1
InChIInChI=1S/C11H11FN2O4S/c12-9-1-3-10(4-2-9)17-7-8-19(15,16)14-11-5-6-18-13-11/h1-6H,7-8H2,(H,13,14)
InChIKeyBCCNEOBOBMLHMJ-UHFFFAOYSA-N
XLogP1.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide (CID 90518632) is 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)Nc1ccon1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide?
The InChIKey is BCCNEOBOBMLHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c12-9-1-3-10(4-2-9)17-7-8-19(15,16)14-11-5-6-18-13-11/h1-6H,7-8H2,(H,13,14).
What are the key properties of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide?
2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide has a molecular weight of 286.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 90518632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).