2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide

C10H6F3N3O2S — CID 118342880

IUPAC2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H6F3N3O2S/c11-6-4-8(13)9(5-7(6)12)19(17,18)16-10-2-1-3-14-15-10/h1-5H,(H,15,16)
InChIKeyUJXJPTRMZMLCNX-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.69
Rot. Bonds3

About 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide

2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 118342880) has the molecular formula C10H6F3N3O2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID118342880
Molecular FormulaC10H6F3N3O2S
Molecular Weight289.24 g/mol
Exact Mass289.01
IUPAC Name2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H6F3N3O2S/c11-6-4-8(13)9(5-7(6)12)19(17,18)16-10-2-1-3-14-15-10/h1-5H,(H,15,16)
InChIKeyUJXJPTRMZMLCNX-UHFFFAOYSA-N
XLogP1.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 118342880) is 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnn1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is UJXJPTRMZMLCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2S/c11-6-4-8(13)9(5-7(6)12)19(17,18)16-10-2-1-3-14-15-10/h1-5H,(H,15,16).
What are the key properties of 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide?
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 289.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 118342880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).