2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide

C18H14F3N3O4S — CID 43972467

IUPAC2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H14F3N3O4S/c1-2-29(26,27)14-6-4-3-5-13(14)15(25)22-17-24-23-16(28-17)11-7-9-12(10-8-11)18(19,20)21/h3-10H,2H2,1H3,(H,22,24,25)
InChIKeyGLJTUAGJZGOMDN-UHFFFAOYSA-N
MW425.39 g/mol
LogP3.80
Rot. Bonds5

About 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide

2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43972467) has the molecular formula C18H14F3N3O4S and a molecular weight of 425.39 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43972467
Molecular FormulaC18H14F3N3O4S
Molecular Weight425.39 g/mol
Exact Mass425.07
IUPAC Name2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H14F3N3O4S/c1-2-29(26,27)14-6-4-3-5-13(14)15(25)22-17-24-23-16(28-17)11-7-9-12(10-8-11)18(19,20)21/h3-10H,2H2,1H3,(H,22,24,25)
InChIKeyGLJTUAGJZGOMDN-UHFFFAOYSA-N
XLogP3.80
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972468
2-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972415
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 43978010
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43978016
3-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43972444
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 43978062
4-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972474
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-nitrobenzamide
CID 43978011
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
4-[benzyl(methyl)sulfamoyl]-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972439
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43972322

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43972467) is 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GLJTUAGJZGOMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S/c1-2-29(26,27)14-6-4-3-5-13(14)15(25)22-17-24-23-16(28-17)11-7-9-12(10-8-11)18(19,20)21/h3-10H,2H2,1H3,(H,22,24,25).
What are the key properties of 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 425.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43972467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).