2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide

C10H9ClFN3O3S — CID 84597417

IUPAC2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(F)cc2Cl)no1
InChIInChI=1S/C10H9ClFN3O3S/c1-2-9-13-10(14-18-9)15-19(16,17)8-4-3-6(12)5-7(8)11/h3-5H,2H2,1H3,(H,14,15)
InChIKeyAVPGIGICTFPXJE-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide

2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 84597417) has the molecular formula C10H9ClFN3O3S and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide
PubChem CID84597417
Molecular FormulaC10H9ClFN3O3S
Molecular Weight305.72 g/mol
Exact Mass305.00
IUPAC Name2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(F)cc2Cl)no1
InChIInChI=1S/C10H9ClFN3O3S/c1-2-9-13-10(14-18-9)15-19(16,17)8-4-3-6(12)5-7(8)11/h3-5H,2H2,1H3,(H,14,15)
InChIKeyAVPGIGICTFPXJE-UHFFFAOYSA-N
XLogP2.23
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide (CID 84597417) is 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide is CCc1nc(NS(=O)(=O)c2ccc(F)cc2Cl)no1.
What is the InChIKey of 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is AVPGIGICTFPXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O3S/c1-2-9-13-10(14-18-9)15-19(16,17)8-4-3-6(12)5-7(8)11/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide?
2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 305.72 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 84597417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).