N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide

C17H19FN6O2S — CID 6409908

IUPACN-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCCNc2ccc(-c3ccc(F)cc3)nn2)cn1C
InChIInChI=1S/C17H19FN6O2S/c1-12-21-17(11-24(12)2)27(25,26)20-10-9-19-16-8-7-15(22-23-16)13-3-5-14(18)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H,19,23)
InChIKeyQMICZDNCSDODGG-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide

N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 6409908) has the molecular formula C17H19FN6O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID6409908
Molecular FormulaC17H19FN6O2S
Molecular Weight390.44 g/mol
Exact Mass390.13
IUPAC NameN-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCCNc2ccc(-c3ccc(F)cc3)nn2)cn1C
InChIInChI=1S/C17H19FN6O2S/c1-12-21-17(11-24(12)2)27(25,26)20-10-9-19-16-8-7-15(22-23-16)13-3-5-14(18)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H,19,23)
InChIKeyQMICZDNCSDODGG-UHFFFAOYSA-N
XLogP1.72
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide (CID 6409908) is N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCCNc2ccc(-c3ccc(F)cc3)nn2)cn1C.
What is the InChIKey of N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is QMICZDNCSDODGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2S/c1-12-21-17(11-24(12)2)27(25,26)20-10-9-19-16-8-7-15(22-23-16)13-3-5-14(18)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 390.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 6409908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).