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

C17H16N6O3S — CID 53095230

IUPACN-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCCn1nnc2cc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)ccc21
InChIInChI=1S/C17H16N6O3S/c1-2-23-15-9-8-12(10-14(15)20-22-23)17-19-16(26-21-17)11-18-27(24,25)13-6-4-3-5-7-13/h3-10,18H,2,11H2,1H3
InChIKeyMXICTVNKCQPOGL-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.98
Rot. Bonds6

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

N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 53095230) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID53095230
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC NameN-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCCn1nnc2cc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)ccc21
InChIInChI=1S/C17H16N6O3S/c1-2-23-15-9-8-12(10-14(15)20-22-23)17-19-16(26-21-17)11-18-27(24,25)13-6-4-3-5-7-13/h3-10,18H,2,11H2,1H3
InChIKeyMXICTVNKCQPOGL-UHFFFAOYSA-N
XLogP1.98
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1R)-1-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 93070148
N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53172597
N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53095225
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-[[3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 53009522
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
methyl 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoate
CID 94008888
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylbenzotriazole-5-carboxylate
CID 7805802
N-[1-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172631

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 53095230) is N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is CCn1nnc2cc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)ccc21.
What is the InChIKey of N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is MXICTVNKCQPOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-2-23-15-9-8-12(10-14(15)20-22-23)17-19-16(26-21-17)11-18-27(24,25)13-6-4-3-5-7-13/h3-10,18H,2,11H2,1H3.
What are the key properties of N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 384.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53095230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).