2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide

C13H16N4O3S — CID 106894709

IUPAC2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H16N4O3S/c14-12-5-1-2-6-13(12)20-8-9-21(18,19)16-10-11-4-3-7-15-17-11/h1-7,16H,8-10,14H2
InChIKeyYGYNSUPSDHMOHC-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.56
Rot. Bonds7

About 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide

2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide (PubChem CID 106894709) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide
PubChem CID106894709
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H16N4O3S/c14-12-5-1-2-6-13(12)20-8-9-21(18,19)16-10-11-4-3-7-15-17-11/h1-7,16H,8-10,14H2
InChIKeyYGYNSUPSDHMOHC-UHFFFAOYSA-N
XLogP0.56
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.56
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-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 107652634
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039767
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 65482643
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781
6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide (CID 106894709) is 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide is Nc1ccccc1OCCS(=O)(=O)NCc1cccnn1.
What is the InChIKey of 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The InChIKey is YGYNSUPSDHMOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-12-5-1-2-6-13(12)20-8-9-21(18,19)16-10-11-4-3-7-15-17-11/h1-7,16H,8-10,14H2.
What are the key properties of 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 106894709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).