4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C13H15FN4O2S — CID 106089510

IUPAC4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cccnn2)ccc1F
InChIInChI=1S/C13H15FN4O2S/c1-15-8-10-7-12(4-5-13(10)14)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3
InChIKeyVLOHPBXFOCUIAA-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.81
Rot. Bonds6

About 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089510) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089510
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cccnn2)ccc1F
InChIInChI=1S/C13H15FN4O2S/c1-15-8-10-7-12(4-5-13(10)14)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3
InChIKeyVLOHPBXFOCUIAA-UHFFFAOYSA-N
XLogP0.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
CID 106897636
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
4-fluoro-3-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013328
N-[2-(dimethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032493
4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378168
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106034867

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089510) is 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NCc2cccnn2)ccc1F.
What is the InChIKey of 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is VLOHPBXFOCUIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-15-8-10-7-12(4-5-13(10)14)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3.
What are the key properties of 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).