N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide

C19H19N7O3S — CID 122306446

IUPACN-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)c1
InChIInChI=1S/C19H19N7O3S/c1-14(2)26-11-19(21-13-26)30(27,28)24-15-3-5-16(6-4-15)29-18-8-7-17(22-23-18)25-10-9-20-12-25/h3-14,24H,1-2H3
InChIKeyHXUGAPNYYWUSLQ-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.03
Rot. Bonds7

About N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122306446) has the molecular formula C19H19N7O3S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID122306446
Molecular FormulaC19H19N7O3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC NameN-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)c1
InChIInChI=1S/C19H19N7O3S/c1-14(2)26-11-19(21-13-26)30(27,28)24-15-3-5-16(6-4-15)29-18-8-7-17(22-23-18)25-10-9-20-12-25/h3-14,24H,1-2H3
InChIKeyHXUGAPNYYWUSLQ-UHFFFAOYSA-N
XLogP3.03
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide 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

N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 166182008
5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306403
2,4-diethoxy-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122306490
5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306400
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
CID 122306263
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122306496
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122306438
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide
CID 122307191
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306425
1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306416
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 122306446) is N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)c1.
What is the InChIKey of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is HXUGAPNYYWUSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3S/c1-14(2)26-11-19(21-13-26)30(27,28)24-15-3-5-16(6-4-15)29-18-8-7-17(22-23-18)25-10-9-20-12-25/h3-14,24H,1-2H3.
What are the key properties of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 425.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122306446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).