2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

C18H14F3N3O3S — CID 41246415

IUPAC2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cc(F)ccc1F
InChIInChI=1S/C18H14F3N3O3S/c19-13-3-1-12(2-4-13)16-7-8-18(24-23-16)27-10-9-22-28(25,26)17-11-14(20)5-6-15(17)21/h1-8,11,22H,9-10H2
InChIKeyBEAPPYCYPKBIJH-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.92
Rot. Bonds7

About 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246415) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246415
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC Name2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cc(F)ccc1F
InChIInChI=1S/C18H14F3N3O3S/c19-13-3-1-12(2-4-13)16-7-8-18(24-23-16)27-10-9-22-28(25,26)17-11-14(20)5-6-15(17)21/h1-8,11,22H,9-10H2
InChIKeyBEAPPYCYPKBIJH-UHFFFAOYSA-N
XLogP2.92
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.92
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
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246883
2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246456
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
CID 41246392
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 41246444
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 41246455
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27475732
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246415) is 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is BEAPPYCYPKBIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c19-13-3-1-12(2-4-13)16-7-8-18(24-23-16)27-10-9-22-28(25,26)17-11-14(20)5-6-15(17)21/h1-8,11,22H,9-10H2.
What are the key properties of 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 409.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).