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

C12H14FN3O3S — CID 75448324

IUPAC3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)Nc1noc(C(C)C)n1
InChIInChI=1S/C12H14FN3O3S/c1-7(2)11-14-12(15-19-11)16-20(17,18)10-6-4-5-9(13)8(10)3/h4-7H,1-3H3,(H,15,16)
InChIKeyQFSGEIPUDBEORJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.44
Rot. Bonds4

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

3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 75448324) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID75448324
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)Nc1noc(C(C)C)n1
InChIInChI=1S/C12H14FN3O3S/c1-7(2)11-14-12(15-19-11)16-20(17,18)10-6-4-5-9(13)8(10)3/h4-7H,1-3H3,(H,15,16)
InChIKeyQFSGEIPUDBEORJ-UHFFFAOYSA-N
XLogP2.44
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 75448324) is 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is Cc1c(F)cccc1S(=O)(=O)Nc1noc(C(C)C)n1.
What is the InChIKey of 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is QFSGEIPUDBEORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-7(2)11-14-12(15-19-11)16-20(17,18)10-6-4-5-9(13)8(10)3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75448324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).