5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

C21H18FN5O4S — CID 122305268

IUPAC5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Oc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C21H18FN5O4S/c1-14-11-12-27(25-14)20-9-10-21(24-23-20)31-17-6-4-16(5-7-17)26-32(28,29)19-13-15(22)3-8-18(19)30-2/h3-13,26H,1-2H3
InChIKeyJFTZKDKNDDNXLV-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.71
Rot. Bonds7

About 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122305268) has the molecular formula C21H18FN5O4S and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
PubChem CID122305268
Molecular FormulaC21H18FN5O4S
Molecular Weight455.47 g/mol
Exact Mass455.11
IUPAC Name5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Oc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C21H18FN5O4S/c1-14-11-12-27(25-14)20-9-10-21(24-23-20)31-17-6-4-16(5-7-17)26-32(28,29)19-13-15(22)3-8-18(19)30-2/h3-13,26H,1-2H3
InChIKeyJFTZKDKNDDNXLV-UHFFFAOYSA-N
XLogP3.71
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305103
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,5-dimethoxybenzenesulfonamide
CID 122305495
5-fluoro-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methoxybenzenesulfonamide
CID 122313251
5-fluoro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312495
4-fluoro-2-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307964
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305101
1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305306
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
5-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 122307201
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122305340

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (CID 122305268) is 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Oc2ccc(-n3ccc(C)n3)nn2)cc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is JFTZKDKNDDNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4S/c1-14-11-12-27(25-14)20-9-10-21(24-23-20)31-17-6-4-16(5-7-17)26-32(28,29)19-13-15(22)3-8-18(19)30-2/h3-13,26H,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 455.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122305268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).