2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C10H7F3N2O3S — CID 67267429

IUPAC2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(C(F)(F)F)o1)c1ccccc1
InChIInChI=1S/C10H7F3N2O3S/c11-10(12,13)9-15-14-8(18-9)6-19(16,17)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyWQPCBTZELBVGFN-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.06
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 67267429) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID67267429
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(C(F)(F)F)o1)c1ccccc1
InChIInChI=1S/C10H7F3N2O3S/c11-10(12,13)9-15-14-8(18-9)6-19(16,17)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyWQPCBTZELBVGFN-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 67267429) is 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is O=S(=O)(Cc1nnc(C(F)(F)F)o1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is WQPCBTZELBVGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c11-10(12,13)9-15-14-8(18-9)6-19(16,17)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 292.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67267429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).