[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate

C22H16FN3O5S — CID 16595730

IUPAC[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H16FN3O5S/c23-17-10-6-15(7-11-17)21-24-20(31-25-21)14-30-22(27)16-8-12-19(13-9-16)32(28,29)26-18-4-2-1-3-5-18/h1-13,26H,14H2
InChIKeyKONFZNSVWUUIHH-UHFFFAOYSA-N
MW453.45 g/mol
LogP4.03
Rot. Bonds7

About [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate

[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate (PubChem CID 16595730) has the molecular formula C22H16FN3O5S and a molecular weight of 453.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate
PubChem CID16595730
Molecular FormulaC22H16FN3O5S
Molecular Weight453.45 g/mol
Exact Mass453.08
IUPAC Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H16FN3O5S/c23-17-10-6-15(7-11-17)21-24-20(31-25-21)14-30-22(27)16-8-12-19(13-9-16)32(28,29)26-18-4-2-1-3-5-18/h1-13,26H,14H2
InChIKeyKONFZNSVWUUIHH-UHFFFAOYSA-N
XLogP4.03
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate (CID 16595730) is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate is O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate?
The InChIKey is KONFZNSVWUUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O5S/c23-17-10-6-15(7-11-17)21-24-20(31-25-21)14-30-22(27)16-8-12-19(13-9-16)32(28,29)26-18-4-2-1-3-5-18/h1-13,26H,14H2.
What are the key properties of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate?
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate has a molecular weight of 453.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 16595730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).