N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide

C12H12FN3O3S — CID 142788147

IUPACN-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide
SMILESCOCN(F)S(=O)(=O)c1ccccc1-c1cccnn1
InChIInChI=1S/C12H12FN3O3S/c1-19-9-16(13)20(17,18)12-7-3-2-5-10(12)11-6-4-8-14-15-11/h2-8H,9H2,1H3
InChIKeyKPZDDOFCJABDCP-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.62
Rot. Bonds5

About N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide

N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide (PubChem CID 142788147) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide
PubChem CID142788147
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC NameN-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide
SMILESCOCN(F)S(=O)(=O)c1ccccc1-c1cccnn1
InChIInChI=1S/C12H12FN3O3S/c1-19-9-16(13)20(17,18)12-7-3-2-5-10(12)11-6-4-8-14-15-11/h2-8H,9H2,1H3
InChIKeyKPZDDOFCJABDCP-UHFFFAOYSA-N
XLogP1.62
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide (CID 142788147) is N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide is COCN(F)S(=O)(=O)c1ccccc1-c1cccnn1.
What is the InChIKey of N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is KPZDDOFCJABDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-19-9-16(13)20(17,18)12-7-3-2-5-10(12)11-6-4-8-14-15-11/h2-8H,9H2,1H3.
What are the key properties of N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide?
N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 297.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 142788147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).