N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide

C14H16F2N4O2S — CID 113051590

IUPACN-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C14H16F2N4O2S/c1-2-3-9-23(21,22)20-13-8-7-12(18-19-13)17-14-10(15)5-4-6-11(14)16/h4-8H,2-3,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyAMEUBXRKOZPBII-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.04
Rot. Bonds7

About N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide (PubChem CID 113051590) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
PubChem CID113051590
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C14H16F2N4O2S/c1-2-3-9-23(21,22)20-13-8-7-12(18-19-13)17-14-10(15)5-4-6-11(14)16/h4-8H,2-3,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyAMEUBXRKOZPBII-UHFFFAOYSA-N
XLogP3.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
CID 104821637
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042623
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113048664
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113051603
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113051596
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113050339
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
CID 113048992

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide (CID 113051590) is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2c(F)cccc2F)nn1.
What is the InChIKey of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide?
The InChIKey is AMEUBXRKOZPBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-2-3-9-23(21,22)20-13-8-7-12(18-19-13)17-14-10(15)5-4-6-11(14)16/h4-8H,2-3,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide?
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide has a molecular weight of 342.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 113051590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).