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

C18H15F2N3O3S — CID 41246414

IUPAC4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O3S/c19-14-3-1-13(2-4-14)17-9-10-18(23-22-17)26-12-11-21-27(24,25)16-7-5-15(20)6-8-16/h1-10,21H,11-12H2
InChIKeyPDRPTGWPALNOPO-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.78
Rot. Bonds7

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

4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246414) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246414
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O3S/c19-14-3-1-13(2-4-14)17-9-10-18(23-22-17)26-12-11-21-27(24,25)16-7-5-15(20)6-8-16/h1-10,21H,11-12H2
InChIKeyPDRPTGWPALNOPO-UHFFFAOYSA-N
XLogP2.78
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.78
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

N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
CID 41246392
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246456
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 41246455
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 41246444
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 41246550

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246414) is 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is PDRPTGWPALNOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c19-14-3-1-13(2-4-14)17-9-10-18(23-22-17)26-12-11-21-27(24,25)16-7-5-15(20)6-8-16/h1-10,21H,11-12H2.
What are the key properties of 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).