4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C11H11FN4O3S — CID 106081813

IUPAC4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(F)c1
InChIInChI=1S/C11H11FN4O3S/c12-8-5-7(6-13)1-2-9(8)20(18,19)16-10-3-4-11(17)15-14-10/h1-5H,6,13H2,(H,14,16)(H,15,17)
InChIKeyUNBGUQKCRQPGKE-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.17
Rot. Bonds4

About 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 106081813) has the molecular formula C11H11FN4O3S and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID106081813
Molecular FormulaC11H11FN4O3S
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC Name4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(F)c1
InChIInChI=1S/C11H11FN4O3S/c12-8-5-7(6-13)1-2-9(8)20(18,19)16-10-3-4-11(17)15-14-10/h1-5H,6,13H2,(H,14,16)(H,15,17)
InChIKeyUNBGUQKCRQPGKE-UHFFFAOYSA-N
XLogP0.17
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 106081813) is 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is NCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is UNBGUQKCRQPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3S/c12-8-5-7(6-13)1-2-9(8)20(18,19)16-10-3-4-11(17)15-14-10/h1-5H,6,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 298.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).