(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate

C17H14FN3O5S — CID 7954101

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H14FN3O5S/c18-13-6-8-14(9-7-13)27(23,24)19-10-16(22)25-11-15-20-21-17(26-15)12-4-2-1-3-5-12/h1-9,19H,10-11H2
InChIKeyJDSFWPKYGPOPBR-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.90
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 7954101) has the molecular formula C17H14FN3O5S and a molecular weight of 391.38 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID7954101
Molecular FormulaC17H14FN3O5S
Molecular Weight391.38 g/mol
Exact Mass391.06
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H14FN3O5S/c18-13-6-8-14(9-7-13)27(23,24)19-10-16(22)25-11-15-20-21-17(26-15)12-4-2-1-3-5-12/h1-9,19H,10-11H2
InChIKeyJDSFWPKYGPOPBR-UHFFFAOYSA-N
XLogP1.90
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 7954101) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccc(F)cc1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is JDSFWPKYGPOPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5S/c18-13-6-8-14(9-7-13)27(23,24)19-10-16(22)25-11-15-20-21-17(26-15)12-4-2-1-3-5-12/h1-9,19H,10-11H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 391.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7954101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).