5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C11H14N4O5S — CID 102946142

IUPAC5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2nc(C)no2)cc1N
InChIInChI=1S/C11H14N4O5S/c1-6-13-11(20-14-6)15-21(16,17)10-4-7(12)8(18-2)5-9(10)19-3/h4-5H,12H2,1-3H3,(H,13,14,15)
InChIKeyMVHQGOHWKMKKKO-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.78
Rot. Bonds5

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

5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 102946142) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID102946142
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Name5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2nc(C)no2)cc1N
InChIInChI=1S/C11H14N4O5S/c1-6-13-11(20-14-6)15-21(16,17)10-4-7(12)8(18-2)5-9(10)19-3/h4-5H,12H2,1-3H3,(H,13,14,15)
InChIKeyMVHQGOHWKMKKKO-UHFFFAOYSA-N
XLogP0.78
TPSA129.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)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

3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 114380304
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
CID 102946035
5-amino-2,4-dimethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392075
6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337267
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592348
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 102946142) is 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is COc1cc(OC)c(S(=O)(=O)Nc2nc(C)no2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is MVHQGOHWKMKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-6-13-11(20-14-6)15-21(16,17)10-4-7(12)8(18-2)5-9(10)19-3/h4-5H,12H2,1-3H3,(H,13,14,15).
What are the key properties of 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 314.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 102946142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).