N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

C18H17FN4O2S — CID 113046610

IUPACN-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)nn2)c1C
InChIInChI=1S/C18H17FN4O2S/c1-12-4-3-5-16(13(12)2)20-17-10-11-18(22-21-17)23-26(24,25)15-8-6-14(19)7-9-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyVADHQFMWEDJRLL-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.78
Rot. Bonds5

About N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 113046610) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID113046610
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)nn2)c1C
InChIInChI=1S/C18H17FN4O2S/c1-12-4-3-5-16(13(12)2)20-17-10-11-18(22-21-17)23-26(24,25)15-8-6-14(19)7-9-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyVADHQFMWEDJRLL-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

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Related Compounds

N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113047218
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
CID 107802338
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (CID 113046610) is N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)nn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is VADHQFMWEDJRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-12-4-3-5-16(13(12)2)20-17-10-11-18(22-21-17)23-26(24,25)15-8-6-14(19)7-9-15/h3-11H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide 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-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113046610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).