2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide

C14H17FN2O4S — CID 110310887

IUPAC2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
SMILESCc1cc(CCNS(=O)(=O)CCOc2ccc(F)cc2)no1
InChIInChI=1S/C14H17FN2O4S/c1-11-10-13(17-21-11)6-7-16-22(18,19)9-8-20-14-4-2-12(15)3-5-14/h2-5,10,16H,6-9H2,1H3
InChIKeyYYIQDUIOBXXSHW-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.66
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide

2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 110310887) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
PubChem CID110310887
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
SMILESCc1cc(CCNS(=O)(=O)CCOc2ccc(F)cc2)no1
InChIInChI=1S/C14H17FN2O4S/c1-11-10-13(17-21-11)6-7-16-22(18,19)9-8-20-14-4-2-12(15)3-5-14/h2-5,10,16H,6-9H2,1H3
InChIKeyYYIQDUIOBXXSHW-UHFFFAOYSA-N
XLogP1.66
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 72137954
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CID 75399517
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CID 100726700
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CID 164640647
CID 164640647
CID 70818318
CID 70818318
CID 70818319
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CID 70818479
CID 70818479

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide (CID 110310887) is 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide is Cc1cc(CCNS(=O)(=O)CCOc2ccc(F)cc2)no1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is YYIQDUIOBXXSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-11-10-13(17-21-11)6-7-16-22(18,19)9-8-20-14-4-2-12(15)3-5-14/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 328.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110310887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).