N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide

C24H21N7O3S — CID 122307221

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(-n5cccn5)cc4)cc3)nn2)c1C
InChIInChI=1S/C24H21N7O3S/c1-17-18(2)30(16-25-17)23-12-13-24(28-27-23)34-21-8-4-19(5-9-21)29-35(32,33)22-10-6-20(7-11-22)31-15-3-14-26-31/h3-16,29H,1-2H3
InChIKeyUEBYVVDBAVZVRV-UHFFFAOYSA-N
MW487.55 g/mol
LogP4.06
Rot. Bonds7

About N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122307221) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122307221
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(-n5cccn5)cc4)cc3)nn2)c1C
InChIInChI=1S/C24H21N7O3S/c1-17-18(2)30(16-25-17)23-12-13-24(28-27-23)34-21-8-4-19(5-9-21)29-35(32,33)22-10-6-20(7-11-22)31-15-3-14-26-31/h3-16,29H,1-2H3
InChIKeyUEBYVVDBAVZVRV-UHFFFAOYSA-N
XLogP4.06
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 122306992
4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 122307004
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide
CID 122307191
4-acetyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304897
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,4-dimethoxybenzenesulfonamide
CID 122307247
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122311802
5-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 122307201
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305101

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 122307221) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide is Cc1ncn(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(-n5cccn5)cc4)cc3)nn2)c1C.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is UEBYVVDBAVZVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c1-17-18(2)30(16-25-17)23-12-13-24(28-27-23)34-21-8-4-19(5-9-21)29-35(32,33)22-10-6-20(7-11-22)31-15-3-14-26-31/h3-16,29H,1-2H3.
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 487.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122307221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).