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

C12H16N4O4S — CID 106413739

IUPAC2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(C)no2)c(N)c1
InChIInChI=1S/C12H16N4O4S/c1-8-15-12(20-16-8)5-6-14-21(17,18)11-4-3-9(19-2)7-10(11)13/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyXVFKJBFCIOEODG-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.49
Rot. Bonds6

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

2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106413739) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106413739
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(C)no2)c(N)c1
InChIInChI=1S/C12H16N4O4S/c1-8-15-12(20-16-8)5-6-14-21(17,18)11-4-3-9(19-2)7-10(11)13/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyXVFKJBFCIOEODG-UHFFFAOYSA-N
XLogP0.49
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.49
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

2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392270
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413720
2-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106413785
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413793
2-amino-6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413696
2-bromo-5-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-sulfonamide
CID 106423526
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106413739) is 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc(C)no2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is XVFKJBFCIOEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-8-15-12(20-16-8)5-6-14-21(17,18)11-4-3-9(19-2)7-10(11)13/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 312.35 g/mol, XLogP of 0.49, 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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106413739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).