1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide

C20H16FN5O3S — CID 122306416

IUPAC1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C20H16FN5O3S/c21-16-3-1-2-15(12-16)13-30(27,28)25-17-4-6-18(7-5-17)29-20-9-8-19(23-24-20)26-11-10-22-14-26/h1-12,14,25H,13H2
InChIKeyXMUZHQIJOQUBGB-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.54
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide

1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide (PubChem CID 122306416) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
PubChem CID122306416
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC Name1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C20H16FN5O3S/c21-16-3-1-2-15(12-16)13-30(27,28)25-17-4-6-18(7-5-17)29-20-9-8-19(23-24-20)26-11-10-22-14-26/h1-12,14,25H,13H2
InChIKeyXMUZHQIJOQUBGB-UHFFFAOYSA-N
XLogP3.54
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122304904
1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306425
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
CID 122306263
1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122310997
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122311753
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
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306400
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744
3,5-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307934
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butane-1-sulfonamide
CID 122313112

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide (CID 122306416) is 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
The InChIKey is XMUZHQIJOQUBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c21-16-3-1-2-15(12-16)13-30(27,28)25-17-4-6-18(7-5-17)29-20-9-8-19(23-24-20)26-11-10-22-14-26/h1-12,14,25H,13H2.
What are the key properties of 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide has a molecular weight of 425.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide is sourced from PubChem (CID 122306416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).