(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C21H17N3O6S — CID 2081197

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H17N3O6S/c25-21(29-14-19-23-24-20(30-19)15-5-2-1-3-6-15)16-8-10-18(11-9-16)31(26,27)22-13-17-7-4-12-28-17/h1-12,22H,13-14H2
InChIKeyHNOPXLIOVUGRIS-UHFFFAOYSA-N
MW439.45 g/mol
LogP3.17
Rot. Bonds8

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2081197) has the molecular formula C21H17N3O6S and a molecular weight of 439.45 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2081197
Molecular FormulaC21H17N3O6S
Molecular Weight439.45 g/mol
Exact Mass439.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H17N3O6S/c25-21(29-14-19-23-24-20(30-19)15-5-2-1-3-6-15)16-8-10-18(11-9-16)31(26,27)22-13-17-7-4-12-28-17/h1-12,22H,13-14H2
InChIKeyHNOPXLIOVUGRIS-UHFFFAOYSA-N
XLogP3.17
TPSA124.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2081197) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is HNOPXLIOVUGRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O6S/c25-21(29-14-19-23-24-20(30-19)15-5-2-1-3-6-15)16-8-10-18(11-9-16)31(26,27)22-13-17-7-4-12-28-17/h1-12,22H,13-14H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 439.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2081197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).