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

C12H11ClFN3O3S — CID 141274611

IUPAC5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCOCN(c1cccnn1)S(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H11ClFN3O3S/c1-20-8-17(12-3-2-6-15-16-12)21(18,19)11-7-9(13)4-5-10(11)14/h2-7H,8H2,1H3
InChIKeyONYMVYOYQMVBIW-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.07
Rot. Bonds5

About 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide

5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 141274611) has the molecular formula C12H11ClFN3O3S and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID141274611
Molecular FormulaC12H11ClFN3O3S
Molecular Weight331.76 g/mol
Exact Mass331.02
IUPAC Name5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCOCN(c1cccnn1)S(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H11ClFN3O3S/c1-20-8-17(12-3-2-6-15-16-12)21(18,19)11-7-9(13)4-5-10(11)14/h2-7H,8H2,1H3
InChIKeyONYMVYOYQMVBIW-UHFFFAOYSA-N
XLogP2.07
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 141274611) is 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide is COCN(c1cccnn1)S(=O)(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is ONYMVYOYQMVBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O3S/c1-20-8-17(12-3-2-6-15-16-12)21(18,19)11-7-9(13)4-5-10(11)14/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 331.76 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 141274611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).