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

C11H11FN4O2S — CID 106084085

IUPAC2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H11FN4O2S/c12-9-4-3-8(7-13)10(6-9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16)
InChIKeyFRJCLESLUGCGRO-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.88
Rot. Bonds4

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

2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084085) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084085
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H11FN4O2S/c12-9-4-3-8(7-13)10(6-9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16)
InChIKeyFRJCLESLUGCGRO-UHFFFAOYSA-N
XLogP0.88
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-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

Pyridazine, 3-sulphanilamido-
CID 6403208
2-[4-(6-aminopyridazin-3-yl)-3-fluorophenyl]-N-butylbenzenesulfonamide
CID 90329802
2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786661
3-Cyano-4-fluoro-N-(pyridazin-3-yl)benzenesulfonamide
CID 116787092
N-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 117653319
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 118342880
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfinamide
CID 118349128
2,4,6-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 134585590
4-(Trifluoromethyl)pyridazin-1-ium-1,6-diamine;2,4,6-trimethylbenzenesulfonate
CID 140307563
N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine
CID 99822234
5-fluoro-2-(hydroxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 105993715
2-fluoro-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084027

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 106084085) is 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is FRJCLESLUGCGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c12-9-4-3-8(7-13)10(6-9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).