N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide

C13H14F2N4O2S — CID 113051676

IUPACN-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H14F2N4O2S/c1-2-7-22(20,21)19-13-6-5-12(17-18-13)16-9-3-4-10(14)11(15)8-9/h3-6,8H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyXEJJPHQEXDUVDV-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.65
Rot. Bonds6

About N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide

N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113051676) has the molecular formula C13H14F2N4O2S and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113051676
Molecular FormulaC13H14F2N4O2S
Molecular Weight328.34 g/mol
Exact Mass328.08
IUPAC NameN-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H14F2N4O2S/c1-2-7-22(20,21)19-13-6-5-12(17-18-13)16-9-3-4-10(14)11(15)8-9/h3-6,8H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyXEJJPHQEXDUVDV-UHFFFAOYSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
CID 113048992
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113050339
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide (CID 113051676) is N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is XEJJPHQEXDUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2S/c1-2-7-22(20,21)19-13-6-5-12(17-18-13)16-9-3-4-10(14)11(15)8-9/h3-6,8H,2,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide?
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 328.34 g/mol, XLogP of 2.65, 6 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]propane-1-sulfonamide is sourced from PubChem (CID 113051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).