3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

C19H14FN5O3S — CID 122304744

IUPAC3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H14FN5O3S/c20-14-3-1-4-17(13-14)29(26,27)24-15-5-7-16(8-6-15)28-19-10-9-18(22-23-19)25-12-2-11-21-25/h1-13,24H
InChIKeyNHJUTRCXBLYRPZ-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.39
Rot. Bonds6

About 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122304744) has the molecular formula C19H14FN5O3S and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
PubChem CID122304744
Molecular FormulaC19H14FN5O3S
Molecular Weight411.42 g/mol
Exact Mass411.08
IUPAC Name3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H14FN5O3S/c20-14-3-1-4-17(13-14)29(26,27)24-15-5-7-16(8-6-15)28-19-10-9-18(22-23-19)25-12-2-11-21-25/h1-13,24H
InChIKeyNHJUTRCXBLYRPZ-UHFFFAOYSA-N
XLogP3.39
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122304904
4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722
4-acetyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304897
3,5-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307934
3,5-difluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310247
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide
CID 122304757
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122307777
3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304985
N-[[5-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122304945
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (CID 122304744) is 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is NHJUTRCXBLYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S/c20-14-3-1-4-17(13-14)29(26,27)24-15-5-7-16(8-6-15)28-19-10-9-18(22-23-19)25-12-2-11-21-25/h1-13,24H.
What are the key properties of 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 411.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122304744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).