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

C14H11N3O3S — CID 6460079

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-16-13(17-20-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19)
InChIKeyVFBZQZMCCHVZTN-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.05
Rot. Bonds3

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

4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 6460079) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID6460079
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-16-13(17-20-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19)
InChIKeyVFBZQZMCCHVZTN-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 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 6460079) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is VFBZQZMCCHVZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-16-13(17-20-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
4-(3-phenyl-1,2,4-oxadiazol-5-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 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 6460079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).