N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide

C22H16N6O3S — CID 122304757

IUPACN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H16N6O3S/c29-32(30,19-6-1-4-16-5-2-13-23-22(16)19)27-17-7-9-18(10-8-17)31-21-12-11-20(25-26-21)28-15-3-14-24-28/h1-15,27H
InChIKeyOTWCFQGCWIRBHS-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.80
Rot. Bonds6

About N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide

N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide (PubChem CID 122304757) has the molecular formula C22H16N6O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide
PubChem CID122304757
Molecular FormulaC22H16N6O3S
Molecular Weight444.48 g/mol
Exact Mass444.10
IUPAC NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H16N6O3S/c29-32(30,19-6-1-4-16-5-2-13-23-22(16)19)27-17-7-9-18(10-8-17)31-21-12-11-20(25-26-21)28-15-3-14-24-28/h1-15,27H
InChIKeyOTWCFQGCWIRBHS-UHFFFAOYSA-N
XLogP3.80
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304985
4-acetyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304897
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide
CID 122310258
1-(3-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122304904
N-[[5-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122304945
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
2-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310081
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide (CID 122304757) is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide?
The InChIKey is OTWCFQGCWIRBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3S/c29-32(30,19-6-1-4-16-5-2-13-23-22(16)19)27-17-7-9-18(10-8-17)31-21-12-11-20(25-26-21)28-15-3-14-24-28/h1-15,27H.
What are the key properties of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide?
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide has a molecular weight of 444.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 122304757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).