N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

C16H15N3O3S — CID 17101249

IUPACN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H15N3O3S/c1-12(19-23(20,21)14-10-6-3-7-11-14)16-17-15(18-22-16)13-8-4-2-5-9-13/h2-12,19H,1H3
InChIKeyHQNUWRBRIQGPFF-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 17101249) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID17101249
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H15N3O3S/c1-12(19-23(20,21)14-10-6-3-7-11-14)16-17-15(18-22-16)13-8-4-2-5-9-13/h2-12,19H,1H3
InChIKeyHQNUWRBRIQGPFF-UHFFFAOYSA-N
XLogP2.78
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 17101249) is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is HQNUWRBRIQGPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-12(19-23(20,21)14-10-6-3-7-11-14)16-17-15(18-22-16)13-8-4-2-5-9-13/h2-12,19H,1H3.
What are the key properties of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 17101249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).