4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide

C15H20FN3O3S — CID 110288389

IUPAC4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
SMILESCc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C15H20FN3O3S/c1-9(2)7-13(15-18-17-11(4)22-15)19-23(20,21)14-6-5-12(16)8-10(14)3/h5-6,8-9,13,19H,7H2,1-4H3
InChIKeyUIGKKHLORBYBQS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.89
Rot. Bonds6

About 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide

4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide (PubChem CID 110288389) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
PubChem CID110288389
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
SMILESCc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C15H20FN3O3S/c1-9(2)7-13(15-18-17-11(4)22-15)19-23(20,21)14-6-5-12(16)8-10(14)3/h5-6,8-9,13,19H,7H2,1-4H3
InChIKeyUIGKKHLORBYBQS-UHFFFAOYSA-N
XLogP2.89
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide (CID 110288389) is 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide is Cc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc(F)cc2C)o1.
What is the InChIKey of 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The InChIKey is UIGKKHLORBYBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-9(2)7-13(15-18-17-11(4)22-15)19-23(20,21)14-6-5-12(16)8-10(14)3/h5-6,8-9,13,19H,7H2,1-4H3.
What are the key properties of 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 110288389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).