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

C13H17N3O3S — CID 5106222

IUPAC4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCCCc1nc(CNS(=O)(=O)c2ccc(C)cc2)no1
InChIInChI=1S/C13H17N3O3S/c1-3-4-13-15-12(16-19-13)9-14-20(17,18)11-7-5-10(2)6-8-11/h5-8,14H,3-4,9H2,1-2H3
InChIKeyNAZKSPVCUOQJCW-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.81
Rot. Bonds6

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

4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (PubChem CID 5106222) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
PubChem CID5106222
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCCCc1nc(CNS(=O)(=O)c2ccc(C)cc2)no1
InChIInChI=1S/C13H17N3O3S/c1-3-4-13-15-12(16-19-13)9-14-20(17,18)11-7-5-10(2)6-8-11/h5-8,14H,3-4,9H2,1-2H3
InChIKeyNAZKSPVCUOQJCW-UHFFFAOYSA-N
XLogP1.81
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
3,4-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322874
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
CID 52623294
(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide
CID 95064165
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (CID 5106222) is 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is CCCc1nc(CNS(=O)(=O)c2ccc(C)cc2)no1.
What is the InChIKey of 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is NAZKSPVCUOQJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-4-13-15-12(16-19-13)9-14-20(17,18)11-7-5-10(2)6-8-11/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 5106222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).