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1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide

C20H15F2N5O3S — CID 122306425

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C20H15F2N5O3S/c21-15-1-6-18(22)14(11-15)12-31(28,29)26-16-2-4-17(5-3-16)30-20-8-7-19(24-25-20)27-10-9-23-13-27/h1-11,13,26H,12H2
InChIKeyXTXBXUYPOLFPGB-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.67
Rot. Bonds7

About 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide (PubChem CID 122306425) has the molecular formula C20H15F2N5O3S and a molecular weight of 443.44 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
PubChem CID122306425
Molecular FormulaC20H15F2N5O3S
Molecular Weight443.44 g/mol
Exact Mass443.09
IUPAC Name1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C20H15F2N5O3S/c21-15-1-6-18(22)14(11-15)12-31(28,29)26-16-2-4-17(5-3-16)30-20-8-7-19(24-25-20)27-10-9-23-13-27/h1-11,13,26H,12H2
InChIKeyXTXBXUYPOLFPGB-UHFFFAOYSA-N
XLogP3.67
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide (CID 122306425) is 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
The InChIKey is XTXBXUYPOLFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3S/c21-15-1-6-18(22)14(11-15)12-31(28,29)26-16-2-4-17(5-3-16)30-20-8-7-19(24-25-20)27-10-9-23-13-27/h1-11,13,26H,12H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide has a molecular weight of 443.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide is sourced from PubChem (CID 122306425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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