5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C13H15FN4O2S — CID 106089487

IUPAC5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H15FN4O2S/c1-15-8-10-4-5-11(14)7-13(10)21(19,20)17-9-12-3-2-6-16-18-12/h2-7,15,17H,8-9H2,1H3
InChIKeyBNRHQOPNOQFLMD-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.81
Rot. Bonds6

About 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089487) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089487
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H15FN4O2S/c1-15-8-10-4-5-11(14)7-13(10)21(19,20)17-9-12-3-2-6-16-18-12/h2-7,15,17H,8-9H2,1H3
InChIKeyBNRHQOPNOQFLMD-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-methyl-N-[(E)-(2-oxidopyridazin-2-ium-3-yl)methylideneamino]benzenesulfonamide
CID 136502429
US20250115569, Example 70
CID 176509338
US20250115569, Example 121
CID 176509352
4-methyl-N-[(E)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
CID 6399314
4-methyl-N-[(Z)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
CID 6413284
N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide
CID 142788147
3-[2-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonylphenyl]-5-methylpyridazine
CID 175100358
3-(aminomethyl)-4-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63302109
2-Fluoro-6-[(2-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 64131904
2-(aminomethyl)-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 64132847
2-Fluoro-6-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872805
2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881762

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089487) is 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is BNRHQOPNOQFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-15-8-10-4-5-11(14)7-13(10)21(19,20)17-9-12-3-2-6-16-18-12/h2-7,15,17H,8-9H2,1H3.
What are the key properties of 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
5-fluoro-2-(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 5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).