4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C12H13FN4O2S — CID 106089525

IUPAC4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2cccnn2)c(F)c1
InChIInChI=1S/C12H13FN4O2S/c13-11-6-9(7-14)3-4-12(11)20(18,19)16-8-10-2-1-5-15-17-10/h1-6,16H,7-8,14H2
InChIKeyHORCTESTHXVNGU-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.55
Rot. Bonds5

About 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089525) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089525
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC Name4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2cccnn2)c(F)c1
InChIInChI=1S/C12H13FN4O2S/c13-11-6-9(7-14)3-4-12(11)20(18,19)16-8-10-2-1-5-15-17-10/h1-6,16H,7-8,14H2
InChIKeyHORCTESTHXVNGU-UHFFFAOYSA-N
XLogP0.55
TPSA97.97 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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(E)-(2-oxidopyridazin-2-ium-3-yl)methylideneamino]benzenesulfonamide
CID 136502429
4-(4-Fluorophenyl)-1-[(4-methylphenyl)sulfonyl]-1 h-1,2,3-triazole
CID 71623276
US20250115569, Example 70
CID 176509338
US20250115569, Example 121
CID 176509352
3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 785585
4-methyl-N-[(E)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
CID 6399314
2,4,6-trimethyl-N-[(E)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
CID 6399315
3-(Azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine
CID 70981264
4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 90060784
4-(3-Fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 101895992
3-cyano-4-fluoro-N-pyridazin-4-ylbenzenesulfonamide
CID 117653456
3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide
CID 142775074

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089525) is 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCc2cccnn2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is HORCTESTHXVNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c13-11-6-9(7-14)3-4-12(11)20(18,19)16-8-10-2-1-5-15-17-10/h1-6,16H,7-8,14H2.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 296.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).