1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide

C21H18FN5O3S — CID 122305306

IUPAC1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NS(=O)(=O)Cc4ccccc4F)cc3)nn2)n1
InChIInChI=1S/C21H18FN5O3S/c1-15-12-13-27(25-15)20-10-11-21(24-23-20)30-18-8-6-17(7-9-18)26-31(28,29)14-16-4-2-3-5-19(16)22/h2-13,26H,14H2,1H3
InChIKeyQPRWUJJVIOWVSQ-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.84
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide

1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide (PubChem CID 122305306) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
PubChem CID122305306
Molecular FormulaC21H18FN5O3S
Molecular Weight439.47 g/mol
Exact Mass439.11
IUPAC Name1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NS(=O)(=O)Cc4ccccc4F)cc3)nn2)n1
InChIInChI=1S/C21H18FN5O3S/c1-15-12-13-27(25-15)20-10-11-21(24-23-20)30-18-8-6-17(7-9-18)26-31(28,29)14-16-4-2-3-5-19(16)22/h2-13,26H,14H2,1H3
InChIKeyQPRWUJJVIOWVSQ-UHFFFAOYSA-N
XLogP3.84
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093
1-(2-fluorophenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]methanesulfonamide
CID 122327359
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305101
5-fluoro-2-methoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305268
2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305103
1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306425
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
1-(3-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122304904
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide (CID 122305306) is 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide is Cc1ccn(-c2ccc(Oc3ccc(NS(=O)(=O)Cc4ccccc4F)cc3)nn2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide?
The InChIKey is QPRWUJJVIOWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c1-15-12-13-27(25-15)20-10-11-21(24-23-20)30-18-8-6-17(7-9-18)26-31(28,29)14-16-4-2-3-5-19(16)22/h2-13,26H,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide has a molecular weight of 439.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide is sourced from PubChem (CID 122305306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).