3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide

C13H15FN4O2S — CID 106084247

IUPAC3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cccnn2)ccc1F
InChIInChI=1S/C13H15FN4O2S/c1-2-15-9-10-8-11(5-6-12(10)14)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18)
InChIKeyHJHNJNGWQFTGCE-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.53
Rot. Bonds6

About 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide

3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084247) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084247
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cccnn2)ccc1F
InChIInChI=1S/C13H15FN4O2S/c1-2-15-9-10-8-11(5-6-12(10)14)21(19,20)18-13-4-3-7-16-17-13/h3-8,15H,2,9H2,1H3,(H,17,18)
InChIKeyHJHNJNGWQFTGCE-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

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 106084247) is 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide is CCNCc1cc(S(=O)(=O)Nc2cccnn2)ccc1F.
What is the InChIKey of 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is HJHNJNGWQFTGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-2-15-9-10-8-11(5-6-12(10)14)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 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
3-(ethylaminomethyl)-4-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 3-(ethylaminomethyl)-4-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).