2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

C19H15FN6O2S — CID 16802116

IUPAC2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1F
InChIInChI=1S/C19H15FN6O2S/c20-16-4-1-2-5-17(16)29(27,28)25-15-8-6-14(7-9-15)22-18-10-11-19(24-23-18)26-13-3-12-21-26/h1-13,25H,(H,22,23)
InChIKeyPTCJXIJHNHAZQE-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.35
Rot. Bonds6

About 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (PubChem CID 16802116) has the molecular formula C19H15FN6O2S and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
PubChem CID16802116
Molecular FormulaC19H15FN6O2S
Molecular Weight410.43 g/mol
Exact Mass410.10
IUPAC Name2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1F
InChIInChI=1S/C19H15FN6O2S/c20-16-4-1-2-5-17(16)29(27,28)25-15-8-6-14(7-9-15)22-18-10-11-19(24-23-18)26-13-3-12-21-26/h1-13,25H,(H,22,23)
InChIKeyPTCJXIJHNHAZQE-UHFFFAOYSA-N
XLogP3.35
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802134
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122292202
5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122292165
3,4-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802107
4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122292201
2-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310081
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290773
3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802125
2,6-difluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292392

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (CID 16802116) is 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is PTCJXIJHNHAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2S/c20-16-4-1-2-5-17(16)29(27,28)25-15-8-6-14(7-9-15)22-18-10-11-19(24-23-18)26-13-3-12-21-26/h1-13,25H,(H,22,23).
What are the key properties of 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 410.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 16802116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).