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

C14H11N3O3S — CID 155548697

IUPAC3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H11N3O3S/c15-21(18,19)12-8-4-7-11(9-12)13-16-14(20-17-13)10-5-2-1-3-6-10/h1-9H,(H2,15,18,19)
InChIKeyIYSCIHRGIRYZLQ-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.05
Rot. Bonds3

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

3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 155548697) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID155548697
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H11N3O3S/c15-21(18,19)12-8-4-7-11(9-12)13-16-14(20-17-13)10-5-2-1-3-6-10/h1-9H,(H2,15,18,19)
InChIKeyIYSCIHRGIRYZLQ-UHFFFAOYSA-N
XLogP2.05
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 155548697) is 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is IYSCIHRGIRYZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-4-7-11(9-12)13-16-14(20-17-13)10-5-2-1-3-6-10/h1-9H,(H2,15,18,19).
What are the key properties of 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 155548697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).