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

C10H9FN4O3S — CID 116786242

IUPAC3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)ccc1F
InChIInChI=1S/C10H9FN4O3S/c11-7-2-1-6(5-8(7)12)19(17,18)15-9-3-4-10(16)14-13-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyGQRPKWKFRFXBPL-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.29
Rot. Bonds3

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

3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 116786242) has the molecular formula C10H9FN4O3S and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID116786242
Molecular FormulaC10H9FN4O3S
Molecular Weight284.27 g/mol
Exact Mass284.04
IUPAC Name3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)ccc1F
InChIInChI=1S/C10H9FN4O3S/c11-7-2-1-6(5-8(7)12)19(17,18)15-9-3-4-10(16)14-13-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyGQRPKWKFRFXBPL-UHFFFAOYSA-N
XLogP0.29
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 116786242) is 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is GQRPKWKFRFXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3S/c11-7-2-1-6(5-8(7)12)19(17,18)15-9-3-4-10(16)14-13-9/h1-5H,12H2,(H,13,15)(H,14,16).
What are the key properties of 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 284.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116786242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).