5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C13H15FN4O2S — CID 106089459

IUPAC5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H15FN4O2S/c1-9-12(14)5-10(7-15)6-13(9)21(19,20)17-8-11-3-2-4-16-18-11/h2-6,17H,7-8,15H2,1H3
InChIKeyUXBOOIOHPMRQSH-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.86
Rot. Bonds5

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

5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089459) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089459
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H15FN4O2S/c1-9-12(14)5-10(7-15)6-13(9)21(19,20)17-8-11-3-2-4-16-18-11/h2-6,17H,7-8,15H2,1H3
InChIKeyUXBOOIOHPMRQSH-UHFFFAOYSA-N
XLogP0.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089459) is 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is Cc1c(F)cc(CN)cc1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is UXBOOIOHPMRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-9-12(14)5-10(7-15)6-13(9)21(19,20)17-8-11-3-2-4-16-18-11/h2-6,17H,7-8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-fluoro-2-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).