N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide

C10H9F2N3O3S — CID 75448330

IUPACN-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C10H9F2N3O3S/c1-2-8-13-10(14-18-8)15-19(16,17)9-6(11)4-3-5-7(9)12/h3-5H,2H2,1H3,(H,14,15)
InChIKeySABIWWPKPTXGHD-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.71
Rot. Bonds4

About N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide

N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide (PubChem CID 75448330) has the molecular formula C10H9F2N3O3S and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide
PubChem CID75448330
Molecular FormulaC10H9F2N3O3S
Molecular Weight289.26 g/mol
Exact Mass289.03
IUPAC NameN-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C10H9F2N3O3S/c1-2-8-13-10(14-18-8)15-19(16,17)9-6(11)4-3-5-7(9)12/h3-5H,2H2,1H3,(H,14,15)
InChIKeySABIWWPKPTXGHD-UHFFFAOYSA-N
XLogP1.71
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide (CID 75448330) is N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide is CCc1nc(NS(=O)(=O)c2c(F)cccc2F)no1.
What is the InChIKey of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide?
The InChIKey is SABIWWPKPTXGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3S/c1-2-8-13-10(14-18-8)15-19(16,17)9-6(11)4-3-5-7(9)12/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide?
N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide has a molecular weight of 289.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 75448330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).