2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide

C12H10ClFN2O5S — CID 99813398

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H10ClFN2O5S/c13-10-5-9(1-2-11(10)14)20-6-12(17)16-22(18,19)7-8-3-4-21-15-8/h1-5H,6-7H2,(H,16,17)
InChIKeyJVKCNMRJMNPIRZ-UHFFFAOYSA-N
MW348.74 g/mol
LogP1.49
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (PubChem CID 99813398) has the molecular formula C12H10ClFN2O5S and a molecular weight of 348.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
PubChem CID99813398
Molecular FormulaC12H10ClFN2O5S
Molecular Weight348.74 g/mol
Exact Mass348.00
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H10ClFN2O5S/c13-10-5-9(1-2-11(10)14)20-6-12(17)16-22(18,19)7-8-3-4-21-15-8/h1-5H,6-7H2,(H,16,17)
InChIKeyJVKCNMRJMNPIRZ-UHFFFAOYSA-N
XLogP1.49
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (CID 99813398) is 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is O=C(COc1ccc(F)c(Cl)c1)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The InChIKey is JVKCNMRJMNPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O5S/c13-10-5-9(1-2-11(10)14)20-6-12(17)16-22(18,19)7-8-3-4-21-15-8/h1-5H,6-7H2,(H,16,17).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide has a molecular weight of 348.74 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 99813398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).