5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

C12H13FN4O2S — CID 106084116

IUPAC5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H13FN4O2S/c1-14-8-9-4-5-10(13)7-11(9)20(18,19)17-12-3-2-6-15-16-12/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyVNCIUXSJOACZBP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.14
Rot. Bonds5

About 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084116) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084116
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC Name5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H13FN4O2S/c1-14-8-9-4-5-10(13)7-11(9)20(18,19)17-12-3-2-6-15-16-12/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyVNCIUXSJOACZBP-UHFFFAOYSA-N
XLogP1.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-methyl-N-(2-((6-methylpyridazin-3-yl)amino)ethyl)benzenesulfonamide
CID 44118041
2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786661
3-Cyano-4-fluoro-N-(pyridazin-3-yl)benzenesulfonamide
CID 116787092
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 118342880
N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942093
2-Fluoro-6-[(1-methylpyrazol-3-yl)sulfamoyl]benzenecarbothioamide
CID 64130746
2-(aminomethyl)-3-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 64132840
2-(aminomethyl)-3-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 64133027
N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine
CID 99822234
2-fluoro-5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 105991224
5-(aminomethyl)-3-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 105991352
2-(aminomethyl)-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 105991368

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 106084116) is 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is VNCIUXSJOACZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c1-14-8-9-4-5-10(13)7-11(9)20(18,19)17-12-3-2-6-15-16-12/h2-7,14H,8H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 296.33 g/mol, XLogP of 1.14, 5 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-ylbenzenesulfonamide is sourced from PubChem (CID 106084116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).