2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

C22H21FN6O2S — CID 16802151

IUPAC2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nn2)c(C)c1C
InChIInChI=1S/C22H21FN6O2S/c1-14-15(2)27-29(16(14)3)22-13-12-21(25-26-22)24-17-8-10-18(11-9-17)28-32(30,31)20-7-5-4-6-19(20)23/h4-13,28H,1-3H3,(H,24,25)
InChIKeyCUTVZCNDKSFFDS-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.27
Rot. Bonds6

About 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (PubChem CID 16802151) has the molecular formula C22H21FN6O2S and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
PubChem CID16802151
Molecular FormulaC22H21FN6O2S
Molecular Weight452.52 g/mol
Exact Mass452.14
IUPAC Name2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nn2)c(C)c1C
InChIInChI=1S/C22H21FN6O2S/c1-14-15(2)27-29(16(14)3)22-13-12-21(25-26-22)24-17-8-10-18(11-9-17)28-32(30,31)20-7-5-4-6-19(20)23/h4-13,28H,1-3H3,(H,24,25)
InChIKeyCUTVZCNDKSFFDS-UHFFFAOYSA-N
XLogP4.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (CID 16802151) is 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is Cc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nn2)c(C)c1C.
What is the InChIKey of 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is CUTVZCNDKSFFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2S/c1-14-15(2)27-29(16(14)3)22-13-12-21(25-26-22)24-17-8-10-18(11-9-17)28-32(30,31)20-7-5-4-6-19(20)23/h4-13,28H,1-3H3,(H,24,25).
What are the key properties of 2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
2-fluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 452.52 g/mol, XLogP of 4.27, 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-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 16802151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).