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

C11H11N3O3S — CID 155534862

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C11H11N3O3S/c12-18(15,16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h1-3,6-7H,4-5H2,(H2,12,15,16)
InChIKeyARFNZMHKBPTBLD-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.26
Rot. Bonds3

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

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 155534862) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID155534862
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C11H11N3O3S/c12-18(15,16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h1-3,6-7H,4-5H2,(H2,12,15,16)
InChIKeyARFNZMHKBPTBLD-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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Related Compounds

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CID 155559325
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CID 155568453
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CID 1247978
CID 1247978
CID 71230885
CID 71230885
CID 156152604
CID 156152604
CID 16033375
CID 16033375
CID 30849053
CID 30849053
CID 132398449
CID 132398449
CID 110293555
CID 110293555
CID 2985780
CID 2985780

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 155534862) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is ARFNZMHKBPTBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-18(15,16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h1-3,6-7H,4-5H2,(H2,12,15,16).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
3-(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 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 155534862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).