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

C12H16N4O4S — CID 106413600

IUPAC4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCc1noc(C)n1
InChIInChI=1S/C12H16N4O4S/c1-8-15-12(16-20-8)5-6-14-21(17,18)11-4-3-9(13)7-10(11)19-2/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyFPWOBXUQKCIRQI-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.49
Rot. Bonds6

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

4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106413600) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106413600
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCc1noc(C)n1
InChIInChI=1S/C12H16N4O4S/c1-8-15-12(16-20-8)5-6-14-21(17,18)11-4-3-9(13)7-10(11)19-2/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyFPWOBXUQKCIRQI-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

4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
3-amino-2,4-difluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413593
5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667
1-(4-aminophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106413641
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413633
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61127020
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
5-amino-4-bromo-2-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413590

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106413600) is 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCCc1noc(C)n1.
What is the InChIKey of 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is FPWOBXUQKCIRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-8-15-12(16-20-8)5-6-14-21(17,18)11-4-3-9(13)7-10(11)19-2/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-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 4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106413600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).