N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide

C16H15N3O3S — CID 2992808

IUPACN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12-7-9-13(10-8-12)16-18-15(22-19-16)11-17-23(20,21)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3
InChIKeyCFBAQEYXCQJZCT-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.52
Rot. Bonds5

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

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 2992808) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID2992808
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12-7-9-13(10-8-12)16-18-15(22-19-16)11-17-23(20,21)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3
InChIKeyCFBAQEYXCQJZCT-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 2992808) is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is Cc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is CFBAQEYXCQJZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-12-7-9-13(10-8-12)16-18-15(22-19-16)11-17-23(20,21)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3.
What are the key properties of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 2992808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).