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

C11H14N4O4S — CID 106392270

IUPAC2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ncno2)c(N)c1
InChIInChI=1S/C11H14N4O4S/c1-18-8-2-3-10(9(12)6-8)20(16,17)15-5-4-11-13-7-14-19-11/h2-3,6-7,15H,4-5,12H2,1H3
InChIKeyMSUZEHLFXSRKKR-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.18
Rot. Bonds6

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

2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106392270) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106392270
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ncno2)c(N)c1
InChIInChI=1S/C11H14N4O4S/c1-18-8-2-3-10(9(12)6-8)20(16,17)15-5-4-11-13-7-14-19-11/h2-3,6-7,15H,4-5,12H2,1H3
InChIKeyMSUZEHLFXSRKKR-UHFFFAOYSA-N
XLogP0.18
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739
4-(aminomethyl)-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411185
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392329
5-bromo-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744455
2-amino-N-methyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393801
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392278
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106407917
6-amino-2,3-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392251

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106392270) is 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ncno2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is MSUZEHLFXSRKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-18-8-2-3-10(9(12)6-8)20(16,17)15-5-4-11-13-7-14-19-11/h2-3,6-7,15H,4-5,12H2,1H3.
What are the key properties of 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106392270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).