4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

C11H11N3O3S — CID 155568453

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C11H11N3O3S/c12-18(15,16)9-5-3-7(4-6-9)10-13-11(17-14-10)8-1-2-8/h3-6,8H,1-2H2,(H2,12,15,16)
InChIKeyWAEPYKPAYATIQO-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.26
Rot. Bonds3

About 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 155568453) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID155568453
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C11H11N3O3S/c12-18(15,16)9-5-3-7(4-6-9)10-13-11(17-14-10)8-1-2-8/h3-6,8H,1-2H2,(H2,12,15,16)
InChIKeyWAEPYKPAYATIQO-UHFFFAOYSA-N
XLogP1.26
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 155568453) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is WAEPYKPAYATIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-18(15,16)9-5-3-7(4-6-9)10-13-11(17-14-10)8-1-2-8/h3-6,8H,1-2H2,(H2,12,15,16).
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 265.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 155568453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).