N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide

C13H14FN3O3S — CID 41246392

IUPACN-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C13H14FN3O3S/c1-21(18,19)15-8-9-20-13-7-6-12(16-17-13)10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3
InChIKeyGJASHOLKTUGXHO-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.21
Rot. Bonds6

About N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide

N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide (PubChem CID 41246392) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
PubChem CID41246392
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C13H14FN3O3S/c1-21(18,19)15-8-9-20-13-7-6-12(16-17-13)10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3
InChIKeyGJASHOLKTUGXHO-UHFFFAOYSA-N
XLogP1.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 41246455
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415
2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246456
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 41246444
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
CID 16823927
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246496

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide?
The IUPAC name of N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide (CID 41246392) is N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide?
The canonical SMILES for N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide is CS(=O)(=O)NCCOc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide?
The InChIKey is GJASHOLKTUGXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-21(18,19)15-8-9-20-13-7-6-12(16-17-13)10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide?
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide is sourced from PubChem (CID 41246392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).