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

C17H14F2N4O3S — CID 113051596

IUPACN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(F)cccc3F)nn2)cc1
InChIInChI=1S/C17H14F2N4O3S/c1-26-11-5-7-12(8-6-11)27(24,25)23-16-10-9-15(21-22-16)20-17-13(18)3-2-4-14(17)19/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyHCHDNSJAHOHAIM-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.31
Rot. Bonds6

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

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 113051596) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID113051596
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(F)cccc3F)nn2)cc1
InChIInChI=1S/C17H14F2N4O3S/c1-26-11-5-7-12(8-6-11)27(24,25)23-16-10-9-15(21-22-16)20-17-13(18)3-2-4-14(17)19/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyHCHDNSJAHOHAIM-UHFFFAOYSA-N
XLogP3.31
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113051603
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide (CID 113051596) is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3c(F)cccc3F)nn2)cc1.
What is the InChIKey of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is HCHDNSJAHOHAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c1-26-11-5-7-12(8-6-11)27(24,25)23-16-10-9-15(21-22-16)20-17-13(18)3-2-4-14(17)19/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 392.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113051596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).