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

C18H16F2N4O2S — CID 113050551

IUPACN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)nn2)c(C)c1
InChIInChI=1S/C18H16F2N4O2S/c1-11-3-6-16(12(2)9-11)27(25,26)24-18-8-7-17(22-23-18)21-15-5-4-13(19)10-14(15)20/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyIADOTFKHADXLQL-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.92
Rot. Bonds5

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

N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113050551) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID113050551
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)nn2)c(C)c1
InChIInChI=1S/C18H16F2N4O2S/c1-11-3-6-16(12(2)9-11)27(25,26)24-18-8-7-17(22-23-18)21-15-5-4-13(19)10-14(15)20/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyIADOTFKHADXLQL-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-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
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-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113050558
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113045199
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide (CID 113050551) is N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)nn2)c(C)c1.
What is the InChIKey of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is IADOTFKHADXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c1-11-3-6-16(12(2)9-11)27(25,26)24-18-8-7-17(22-23-18)21-15-5-4-13(19)10-14(15)20/h3-10H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide?
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-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-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113050551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).