3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C18H19FN6O2S — CID 70702646

IUPAC3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cccc(F)c3)nn2)nc1
InChIInChI=1S/C18H19FN6O2S/c1-13-5-6-16(21-12-13)23-18-8-7-17(24-25-18)20-9-10-22-28(26,27)15-4-2-3-14(19)11-15/h2-8,11-12,22H,9-10H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyJDOZICKKRALOCN-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.45
Rot. Bonds8

About 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide

3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 70702646) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID70702646
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC Name3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cccc(F)c3)nn2)nc1
InChIInChI=1S/C18H19FN6O2S/c1-13-5-6-16(21-12-13)23-18-8-7-17(24-25-18)20-9-10-22-28(26,27)15-4-2-3-14(19)11-15/h2-8,11-12,22H,9-10H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyJDOZICKKRALOCN-UHFFFAOYSA-N
XLogP2.45
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-3-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326780
2,4,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326776
3-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064547
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122327044
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122327016
2,5-dichloro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122326772
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064606
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzenesulfonamide
CID 121074810
4-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064548
N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122327041
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 121064562

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 70702646) is 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide is Cc1ccc(Nc2ccc(NCCNS(=O)(=O)c3cccc(F)c3)nn2)nc1.
What is the InChIKey of 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is JDOZICKKRALOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-13-5-6-16(21-12-13)23-18-8-7-17(24-25-18)20-9-10-22-28(26,27)15-4-2-3-14(19)11-15/h2-8,11-12,22H,9-10H2,1H3,(H,20,24)(H,21,23,25).
What are the key properties of 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 402.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 70702646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).