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

C11H14N4O4S — CID 61127981

IUPAC4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1nc(C)no1
InChIInChI=1S/C11H14N4O4S/c1-7-14-11(19-15-7)6-13-20(16,17)10-4-3-8(12)5-9(10)18-2/h3-5,13H,6,12H2,1-2H3
InChIKeyJVIDLMLVPWVIKA-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.45
Rot. Bonds5

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

4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 61127981) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID61127981
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1nc(C)no1
InChIInChI=1S/C11H14N4O4S/c1-7-14-11(19-15-7)6-13-20(16,17)10-4-3-8(12)5-9(10)18-2/h3-5,13H,6,12H2,1-2H3
InChIKeyJVIDLMLVPWVIKA-UHFFFAOYSA-N
XLogP0.45
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.45
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-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413600
5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61126774
4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61127020
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391
5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79179656

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 61127981) is 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCc1nc(C)no1.
What is the InChIKey of 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is JVIDLMLVPWVIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-7-14-11(19-15-7)6-13-20(16,17)10-4-3-8(12)5-9(10)18-2/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61127981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).