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

C19H19N7O3S — CID 122307191

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3)nn2)c1C
InChIInChI=1S/C19H19N7O3S/c1-13-14(2)26(12-20-13)17-8-9-18(23-22-17)29-16-6-4-15(5-7-16)24-30(27,28)19-10-25(3)11-21-19/h4-12,24H,1-3H3
InChIKeyVPDXYLKEEIANAA-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.61
Rot. Bonds6

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

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 122307191) has the molecular formula C19H19N7O3S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide
PubChem CID122307191
Molecular FormulaC19H19N7O3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3)nn2)c1C
InChIInChI=1S/C19H19N7O3S/c1-13-14(2)26(12-20-13)17-8-9-18(23-22-17)29-16-6-4-15(5-7-16)24-30(27,28)19-10-25(3)11-21-19/h4-12,24H,1-3H3
InChIKeyVPDXYLKEEIANAA-UHFFFAOYSA-N
XLogP2.61
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.61
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]-2,4-dimethoxybenzenesulfonamide
CID 122307247
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 122306992
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]-4-pyrazol-1-ylbenzenesulfonamide
CID 122307221
5-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 122307201
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122307189
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122307141
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122306878
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122306446
2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122307126
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122313454
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122307035

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide (CID 122307191) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide is Cc1ncn(-c2ccc(Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3)nn2)c1C.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is VPDXYLKEEIANAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3S/c1-13-14(2)26(12-20-13)17-8-9-18(23-22-17)29-16-6-4-15(5-7-16)24-30(27,28)19-10-25(3)11-21-19/h4-12,24H,1-3H3.
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 425.47 g/mol, XLogP of 2.61, 6 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]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122307191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).