4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide

C18H17FN4O2S — CID 16942116

IUPAC4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCC(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)nn1)c1ccccc1
InChIInChI=1S/C18H17FN4O2S/c1-13(14-5-3-2-4-6-14)20-17-11-12-18(22-21-17)23-26(24,25)16-9-7-15(19)8-10-16/h2-13H,1H3,(H,20,21)(H,22,23)
InChIKeyVLUFJZVVFBDQDX-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.59
Rot. Bonds6

About 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide

4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 16942116) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID16942116
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCC(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)nn1)c1ccccc1
InChIInChI=1S/C18H17FN4O2S/c1-13(14-5-3-2-4-6-14)20-17-11-12-18(22-21-17)23-26(24,25)16-9-7-15(19)8-10-16/h2-13H,1H3,(H,20,21)(H,22,23)
InChIKeyVLUFJZVVFBDQDX-UHFFFAOYSA-N
XLogP3.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]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

4-methyl-N-[6-(2-piperidin-1-ylphenyl)pyridazin-3-yl]benzenesulfonamide
CID 140306957
3-{4-[(4-Fluorophenyl)sulfonyl]piperazino}-6-phenylpyridazine
CID 6404648
3-fluoro-N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16029023
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-3-fluorobenzenesulfonamide
CID 16029078
N-(4-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-3,4-dimethylbenzenesulfonamide
CID 16029147
N-{4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl}-3-(trifluoromethyl)benzene-1-sulfonamide
CID 16029177
N-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 16029200
N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methylbenzenesulfonamide
CID 22576109
N-{3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl}-2,4-dimethylbenzene-1-sulfonamide
CID 22576111
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22576124
3-[(2S)-2-methylpiperidin-1-yl]-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 137637971
N-[6-(2-fluoro-6-piperidin-1-ylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 147022573

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (CID 16942116) is 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is CC(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)nn1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is VLUFJZVVFBDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-13(14-5-3-2-4-6-14)20-17-11-12-18(22-21-17)23-26(24,25)16-9-7-15(19)8-10-16/h2-13H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 372.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16942116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).