3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

C15H14F2N6O2S — CID 122292893

IUPAC3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N6O2S/c16-11-8-12(17)10-13(9-11)26(24,25)20-6-5-18-14-2-3-15(22-21-14)23-7-1-4-19-23/h1-4,7-10,20H,5-6H2,(H,18,21)
InChIKeyWQYSTJYLQHVOKB-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.33
Rot. Bonds7

About 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (PubChem CID 122292893) has the molecular formula C15H14F2N6O2S and a molecular weight of 380.38 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
PubChem CID122292893
Molecular FormulaC15H14F2N6O2S
Molecular Weight380.38 g/mol
Exact Mass380.09
IUPAC Name3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N6O2S/c16-11-8-12(17)10-13(9-11)26(24,25)20-6-5-18-14-2-3-15(22-21-14)23-7-1-4-19-23/h1-4,7-10,20H,5-6H2,(H,18,21)
InChIKeyWQYSTJYLQHVOKB-UHFFFAOYSA-N
XLogP1.33
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292941
2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 16654544
3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122323949
3-methyl-2-oxo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-benzoxazole-5-sulfonamide
CID 122292909
2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide
CID 122292910
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide
CID 122307338
4-pyrazol-1-yl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289030
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]methanesulfonamide
CID 122307552
4-phenyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122307342
4-fluoro-2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122290038
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122290051

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (CID 122292893) is 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is WQYSTJYLQHVOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2S/c16-11-8-12(17)10-13(9-11)26(24,25)20-6-5-18-14-2-3-15(22-21-14)23-7-1-4-19-23/h1-4,7-10,20H,5-6H2,(H,18,21).
What are the key properties of 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 380.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122292893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).