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

C12H16N4O3S — CID 106392329

IUPAC3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCCc2ncno2)c1
InChIInChI=1S/C12H16N4O3S/c1-8-5-10(13)9(2)11(6-8)20(17,18)16-4-3-12-14-7-15-19-12/h5-7,16H,3-4,13H2,1-2H3
InChIKeyFJGKJZWINWKERG-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.79
Rot. Bonds5

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

3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106392329) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106392329
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCCc2ncno2)c1
InChIInChI=1S/C12H16N4O3S/c1-8-5-10(13)9(2)11(6-8)20(17,18)16-4-3-12-14-7-15-19-12/h5-7,16H,3-4,13H2,1-2H3
InChIKeyFJGKJZWINWKERG-UHFFFAOYSA-N
XLogP0.79
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-3-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411171
6-amino-2,3-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392251
2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392270
5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744466
4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
2-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106411220
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106035146
4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106407917
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392278
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407956
4-amino-2,6-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392197

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106392329) is 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCCc2ncno2)c1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is FJGKJZWINWKERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-5-10(13)9(2)11(6-8)20(17,18)16-4-3-12-14-7-15-19-12/h5-7,16H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106392329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).