4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide

C12H12FN3O4S — CID 82913730

IUPAC4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2nc(C3CC3)no2)c(F)c1
InChIInChI=1S/C12H12FN3O4S/c13-9-5-8(21(14,17)18)3-4-10(9)19-6-11-15-12(16-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,17,18)
InChIKeyMZLSFIOCWTWKFR-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.31
Rot. Bonds5

About 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide (PubChem CID 82913730) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide
PubChem CID82913730
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2nc(C3CC3)no2)c(F)c1
InChIInChI=1S/C12H12FN3O4S/c13-9-5-8(21(14,17)18)3-4-10(9)19-6-11-15-12(16-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,17,18)
InChIKeyMZLSFIOCWTWKFR-UHFFFAOYSA-N
XLogP1.31
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide (CID 82913730) is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(OCc2nc(C3CC3)no2)c(F)c1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide?
The InChIKey is MZLSFIOCWTWKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c13-9-5-8(21(14,17)18)3-4-10(9)19-6-11-15-12(16-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,17,18).
What are the key properties of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide?
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide has a molecular weight of 313.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82913730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).