2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide

C13H18N4O3S — CID 106089517

IUPAC2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H18N4O3S/c1-9-12(8-14-3)13(10(2)20-9)21(18,19)16-7-11-5-4-6-15-17-11/h4-6,14,16H,7-8H2,1-3H3
InChIKeyFNFFSPDWSDLFNI-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.88
Rot. Bonds6

About 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide

2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide (PubChem CID 106089517) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
PubChem CID106089517
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H18N4O3S/c1-9-12(8-14-3)13(10(2)20-9)21(18,19)16-7-11-5-4-6-15-17-11/h4-6,14,16H,7-8H2,1-3H3
InChIKeyFNFFSPDWSDLFNI-UHFFFAOYSA-N
XLogP0.88
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089441
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
CID 106089544
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089510
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065515
2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 106833703

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide (CID 106089517) is 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide?
The InChIKey is FNFFSPDWSDLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9-12(8-14-3)13(10(2)20-9)21(18,19)16-7-11-5-4-6-15-17-11/h4-6,14,16H,7-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide?
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106089517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).