4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide

C11H9BrFN3O3S — CID 116528347

IUPAC4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)o1)c1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFN3O3S/c12-7-3-4-9(8(13)5-7)20(17,18)16-11-15-14-10(19-11)6-1-2-6/h3-6H,1-2H2,(H,15,16)
InChIKeyFNHKXGGLIMKSBA-UHFFFAOYSA-N
MW362.18 g/mol
LogP2.65
Rot. Bonds4

About 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide

4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 116528347) has the molecular formula C11H9BrFN3O3S and a molecular weight of 362.18 g/mol. Its IUPAC name is 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide
PubChem CID116528347
Molecular FormulaC11H9BrFN3O3S
Molecular Weight362.18 g/mol
Exact Mass360.95
IUPAC Name4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)o1)c1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFN3O3S/c12-7-3-4-9(8(13)5-7)20(17,18)16-11-15-14-10(19-11)6-1-2-6/h3-6H,1-2H2,(H,15,16)
InChIKeyFNHKXGGLIMKSBA-UHFFFAOYSA-N
XLogP2.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide (CID 116528347) is 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1nnc(C2CC2)o1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is FNHKXGGLIMKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O3S/c12-7-3-4-9(8(13)5-7)20(17,18)16-11-15-14-10(19-11)6-1-2-6/h3-6H,1-2H2,(H,15,16).
What are the key properties of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide?
4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 362.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).