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

C18H14Cl2FN3O3S — CID 41246456

IUPAC2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2FN3O3S/c19-14-2-1-3-16(18(14)20)28(25,26)22-10-11-27-17-9-8-15(23-24-17)12-4-6-13(21)7-5-12/h1-9,22H,10-11H2
InChIKeyUVKKYAVURZHMMT-UHFFFAOYSA-N
MW442.30 g/mol
LogP3.95
Rot. Bonds7

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

2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246456) has the molecular formula C18H14Cl2FN3O3S and a molecular weight of 442.30 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246456
Molecular FormulaC18H14Cl2FN3O3S
Molecular Weight442.30 g/mol
Exact Mass441.01
IUPAC Name2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2FN3O3S/c19-14-2-1-3-16(18(14)20)28(25,26)22-10-11-27-17-9-8-15(23-24-17)12-4-6-13(21)7-5-12/h1-9,22H,10-11H2
InChIKeyUVKKYAVURZHMMT-UHFFFAOYSA-N
XLogP3.95
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246456) is 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is UVKKYAVURZHMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O3S/c19-14-2-1-3-16(18(14)20)28(25,26)22-10-11-27-17-9-8-15(23-24-17)12-4-6-13(21)7-5-12/h1-9,22H,10-11H2.
What are the key properties of 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 442.30 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).