3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide

C21H19F2N5O3S — CID 70226515

IUPAC3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-n2ccc(=O)c(C3CC=NN3c3cc(F)ccc3F)n2)c1
InChIInChI=1S/C21H19F2N5O3S/c1-26(2)32(30,31)16-5-3-4-15(13-16)27-11-9-20(29)21(25-27)18-8-10-24-28(18)19-12-14(22)6-7-17(19)23/h3-7,9-13,18H,8H2,1-2H3
InChIKeyQDABQDNKZJXTQD-UHFFFAOYSA-N
MW459.48 g/mol
LogP2.70
Rot. Bonds5

About 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide

3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 70226515) has the molecular formula C21H19F2N5O3S and a molecular weight of 459.48 g/mol. Its IUPAC name is 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID70226515
Molecular FormulaC21H19F2N5O3S
Molecular Weight459.48 g/mol
Exact Mass459.12
IUPAC Name3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-n2ccc(=O)c(C3CC=NN3c3cc(F)ccc3F)n2)c1
InChIInChI=1S/C21H19F2N5O3S/c1-26(2)32(30,31)16-5-3-4-15(13-16)27-11-9-20(29)21(25-27)18-8-10-24-28(18)19-12-14(22)6-7-17(19)23/h3-7,9-13,18H,8H2,1-2H3
InChIKeyQDABQDNKZJXTQD-UHFFFAOYSA-N
XLogP2.70
TPSA87.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide 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 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide (CID 70226515) is 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-n2ccc(=O)c(C3CC=NN3c3cc(F)ccc3F)n2)c1.
What is the InChIKey of 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QDABQDNKZJXTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3S/c1-26(2)32(30,31)16-5-3-4-15(13-16)27-11-9-20(29)21(25-27)18-8-10-24-28(18)19-12-14(22)6-7-17(19)23/h3-7,9-13,18H,8H2,1-2H3.
What are the key properties of 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 459.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,5-difluorophenyl)-3,4-dihydropyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 70226515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).