[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate

C18H14ClFN2O5S — CID 16605186

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C18H14ClFN2O5S/c1-21-28(24,25)14-6-7-16(20)15(9-14)18(23)26-10-13-8-17(22-27-13)11-2-4-12(19)5-3-11/h2-9,21H,10H2,1H3
InChIKeySEYWCXHREYYBDN-UHFFFAOYSA-N
MW424.84 g/mol
LogP3.40
Rot. Bonds6

About [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate (PubChem CID 16605186) has the molecular formula C18H14ClFN2O5S and a molecular weight of 424.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate
PubChem CID16605186
Molecular FormulaC18H14ClFN2O5S
Molecular Weight424.84 g/mol
Exact Mass424.03
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C18H14ClFN2O5S/c1-21-28(24,25)14-6-7-16(20)15(9-14)18(23)26-10-13-8-17(22-27-13)11-2-4-12(19)5-3-11/h2-9,21H,10H2,1H3
InChIKeySEYWCXHREYYBDN-UHFFFAOYSA-N
XLogP3.40
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate (CID 16605186) is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)c1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The InChIKey is SEYWCXHREYYBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O5S/c1-21-28(24,25)14-6-7-16(20)15(9-14)18(23)26-10-13-8-17(22-27-13)11-2-4-12(19)5-3-11/h2-9,21H,10H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate has a molecular weight of 424.84 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 16605186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).