3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

C9H6F3N3O3S — CID 75517545

IUPAC3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)no1
InChIInChI=1S/C9H6F3N3O3S/c1-4-13-9(14-18-4)15-19(16,17)5-2-6(10)8(12)7(11)3-5/h2-3H,1H3,(H,14,15)
InChIKeyNQUSZLSSJHPEOI-UHFFFAOYSA-N
MW293.23 g/mol
LogP1.60
Rot. Bonds3

About 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 75517545) has the molecular formula C9H6F3N3O3S and a molecular weight of 293.23 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID75517545
Molecular FormulaC9H6F3N3O3S
Molecular Weight293.23 g/mol
Exact Mass293.01
IUPAC Name3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)no1
InChIInChI=1S/C9H6F3N3O3S/c1-4-13-9(14-18-4)15-19(16,17)5-2-6(10)8(12)7(11)3-5/h2-3H,1H3,(H,14,15)
InChIKeyNQUSZLSSJHPEOI-UHFFFAOYSA-N
XLogP1.60
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 75517545) is 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)no1.
What is the InChIKey of 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is NQUSZLSSJHPEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3S/c1-4-13-9(14-18-4)15-19(16,17)5-2-6(10)8(12)7(11)3-5/h2-3H,1H3,(H,14,15).
What are the key properties of 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 293.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75517545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).