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

C12H13FN2O4S — CID 90518628

IUPAC2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCOc2ccc(F)cc2)on1
InChIInChI=1S/C12H13FN2O4S/c1-9-8-12(19-14-9)15-20(16,17)7-6-18-11-4-2-10(13)3-5-11/h2-5,8,15H,6-7H2,1H3
InChIKeyFFSSGWGKWCNQRQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.94
Rot. Bonds6

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

2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide (PubChem CID 90518628) has the molecular formula C12H13FN2O4S and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide
PubChem CID90518628
Molecular FormulaC12H13FN2O4S
Molecular Weight300.31 g/mol
Exact Mass300.06
IUPAC Name2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCOc2ccc(F)cc2)on1
InChIInChI=1S/C12H13FN2O4S/c1-9-8-12(19-14-9)15-20(16,17)7-6-18-11-4-2-10(13)3-5-11/h2-5,8,15H,6-7H2,1H3
InChIKeyFFSSGWGKWCNQRQ-UHFFFAOYSA-N
XLogP1.94
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.94
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-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide (CID 90518628) is 2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide is Cc1cc(NS(=O)(=O)CCOc2ccc(F)cc2)on1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide?
The InChIKey is FFSSGWGKWCNQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S/c1-9-8-12(19-14-9)15-20(16,17)7-6-18-11-4-2-10(13)3-5-11/h2-5,8,15H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide?
2-(4-fluorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide has a molecular weight of 300.31 g/mol, XLogP of 1.94, 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-(3-methyl-1,2-oxazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 90518628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).