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

C13H15FN4O2S — CID 106084086

IUPAC2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C13H15FN4O2S/c1-2-15-9-10-5-6-11(14)8-12(10)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18)
InChIKeyTUJCOUKZBBTLQS-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.53
Rot. Bonds6

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

2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084086) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084086
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C13H15FN4O2S/c1-2-15-9-10-5-6-11(14)8-12(10)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18)
InChIKeyTUJCOUKZBBTLQS-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-fluoro-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942101
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942104
4-fluoro-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942116
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

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 106084086) is 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide is CCNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is TUJCOUKZBBTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-2-15-9-10-5-6-11(14)8-12(10)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).