4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C13H15N3O4S — CID 136535361

IUPAC4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(C3CCOCC3)n2)cc1
InChIInChI=1S/C13H15N3O4S/c14-21(17,18)11-3-1-9(2-4-11)12-15-13(20-16-12)10-5-7-19-8-6-10/h1-4,10H,5-8H2,(H2,14,17,18)
InChIKeyAULZIHUITDYCNC-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.28
Rot. Bonds3

About 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 136535361) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID136535361
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(C3CCOCC3)n2)cc1
InChIInChI=1S/C13H15N3O4S/c14-21(17,18)11-3-1-9(2-4-11)12-15-13(20-16-12)10-5-7-19-8-6-10/h1-4,10H,5-8H2,(H2,14,17,18)
InChIKeyAULZIHUITDYCNC-UHFFFAOYSA-N
XLogP1.28
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
CID 50778913
4-[5-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 99793587
[4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 1453664
4-[5-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 102562715
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.3.1]nonan-9-amine
CID 128744634
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 71618338
4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 99793585
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide
CID 50747537

Frequently Asked Questions

What is the IUPAC name of 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 136535361) is 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2noc(C3CCOCC3)n2)cc1.
What is the InChIKey of 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is AULZIHUITDYCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c14-21(17,18)11-3-1-9(2-4-11)12-15-13(20-16-12)10-5-7-19-8-6-10/h1-4,10H,5-8H2,(H2,14,17,18).
What are the key properties of 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 136535361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).