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

C11H13FN4O3S — CID 106413720

IUPAC2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C11H13FN4O3S/c1-7-15-10(19-16-7)5-6-14-20(17,18)9-4-2-3-8(12)11(9)13/h2-4,14H,5-6,13H2,1H3
InChIKeyJDDALEUPVRNZBZ-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.62
Rot. Bonds5

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

2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106413720) has the molecular formula C11H13FN4O3S and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106413720
Molecular FormulaC11H13FN4O3S
Molecular Weight300.31 g/mol
Exact Mass300.07
IUPAC Name2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C11H13FN4O3S/c1-7-15-10(19-16-7)5-6-14-20(17,18)9-4-2-3-8(12)11(9)13/h2-4,14H,5-6,13H2,1H3
InChIKeyJDDALEUPVRNZBZ-UHFFFAOYSA-N
XLogP0.62
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106413785
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 113228525
2-amino-6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413696
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
3-amino-2,4-difluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413593
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103768332
2-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106423536
3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413793
5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 113254409

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106413720) is 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is Cc1noc(CCNS(=O)(=O)c2cccc(F)c2N)n1.
What is the InChIKey of 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is JDDALEUPVRNZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3S/c1-7-15-10(19-16-7)5-6-14-20(17,18)9-4-2-3-8(12)11(9)13/h2-4,14H,5-6,13H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106413720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).