N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide

C18H17FN4O2S — CID 113047318

IUPACN-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3)nn2)c(C)c1
InChIInChI=1S/C18H17FN4O2S/c1-12-3-8-16(13(2)11-12)26(24,25)23-18-10-9-17(21-22-18)20-15-6-4-14(19)5-7-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyBHNGDGANSJJKFR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.78
Rot. Bonds5

About N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide

N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113047318) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID113047318
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3)nn2)c(C)c1
InChIInChI=1S/C18H17FN4O2S/c1-12-3-8-16(13(2)11-12)26(24,25)23-18-10-9-17(21-22-18)20-15-6-4-14(19)5-7-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyBHNGDGANSJJKFR-UHFFFAOYSA-N
XLogP3.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide 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

N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-fluoro-2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297852
2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802125
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113020920
N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113013339
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
4-fluoro-2-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 122286910
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (CID 113047318) is N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3)nn2)c(C)c1.
What is the InChIKey of N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is BHNGDGANSJJKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-12-3-8-16(13(2)11-12)26(24,25)23-18-10-9-17(21-22-18)20-15-6-4-14(19)5-7-15/h3-11H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 372.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113047318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).