3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C22H20F4N4O2S — CID 30596248

IUPAC3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C22H20F4N4O2S/c23-19-14-17(8-9-18(19)22(24,25)26)33(31,32)29-16-6-4-15(5-7-16)20-10-11-21(28-27-20)30-12-2-1-3-13-30/h4-11,14,29H,1-3,12-13H2
InChIKeyWFRKXHGQMYKICV-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.09
Rot. Bonds5

About 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 30596248) has the molecular formula C22H20F4N4O2S and a molecular weight of 480.49 g/mol. Its IUPAC name is 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID30596248
Molecular FormulaC22H20F4N4O2S
Molecular Weight480.49 g/mol
Exact Mass480.12
IUPAC Name3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C22H20F4N4O2S/c23-19-14-17(8-9-18(19)22(24,25)26)33(31,32)29-16-6-4-15(5-7-16)20-10-11-21(28-27-20)30-12-2-1-3-13-30/h4-11,14,29H,1-3,12-13H2
InChIKeyWFRKXHGQMYKICV-UHFFFAOYSA-N
XLogP5.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 30595877
3-fluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 30595891
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26843009
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 29043584
2,5-difluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843103
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153
N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 29043595
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41006216
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4,5-trichlorobenzenesulfonamide
CID 121031462
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 30596210
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 30596248) is 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WFRKXHGQMYKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2S/c23-19-14-17(8-9-18(19)22(24,25)26)33(31,32)29-16-6-4-15(5-7-16)20-10-11-21(28-27-20)30-12-2-1-3-13-30/h4-11,14,29H,1-3,12-13H2.
What are the key properties of 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 480.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).