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

C12H16N4O3S — CID 106392459

IUPAC3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2ncon2)cc1N
InChIInChI=1S/C12H16N4O3S/c1-2-9-3-4-10(7-11(9)13)20(17,18)15-6-5-12-14-8-19-16-12/h3-4,7-8,15H,2,5-6,13H2,1H3
InChIKeyFQTIRIFZGCEITN-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.74
Rot. Bonds6

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

3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106392459) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106392459
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2ncon2)cc1N
InChIInChI=1S/C12H16N4O3S/c1-2-9-3-4-10(7-11(9)13)20(17,18)15-6-5-12-14-8-19-16-12/h3-4,7-8,15H,2,5-6,13H2,1H3
InChIKeyFQTIRIFZGCEITN-UHFFFAOYSA-N
XLogP0.74
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106407015
3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411260
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106410619
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 106401477
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
3-amino-5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392493
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471
3-amino-4-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332758
5-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392465
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106392459) is 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2ncon2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is FQTIRIFZGCEITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-9-3-4-10(7-11(9)13)20(17,18)15-6-5-12-14-8-19-16-12/h3-4,7-8,15H,2,5-6,13H2,1H3.
What are the key properties of 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106392459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).