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

C18H16F2N4O2S — CID 113051684

IUPACN-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)c(F)c3)nn2)cc1C
InChIInChI=1S/C18H16F2N4O2S/c1-11-3-5-14(9-12(11)2)27(25,26)24-18-8-7-17(22-23-18)21-13-4-6-15(19)16(20)10-13/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyNWYKTUSCJAGIBQ-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.92
Rot. Bonds5

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

N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113051684) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID113051684
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)c(F)c3)nn2)cc1C
InChIInChI=1S/C18H16F2N4O2S/c1-11-3-5-14(9-12(11)2)27(25,26)24-18-8-7-17(22-23-18)21-13-4-6-15(19)16(20)10-13/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyNWYKTUSCJAGIBQ-UHFFFAOYSA-N
XLogP3.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113047218
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (CID 113051684) is N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)c(F)c3)nn2)cc1C.
What is the InChIKey of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is NWYKTUSCJAGIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c1-11-3-5-14(9-12(11)2)27(25,26)24-18-8-7-17(22-23-18)21-13-4-6-15(19)16(20)10-13/h3-10H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 390.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113051684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).