5-(trifluoromethyl)pyridazine-3-sulfonamide

C5H4F3N3O2S — CID 126818891

IUPAC5-(trifluoromethyl)pyridazine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C5H4F3N3O2S/c6-5(7,8)3-1-4(11-10-2-3)14(9,12)13/h1-2H,(H2,9,12,13)
InChIKeyICRDLTWGXVVXBQ-UHFFFAOYSA-N
MW227.17 g/mol
LogP0.14
Rot. Bonds1

About 5-(trifluoromethyl)pyridazine-3-sulfonamide

5-(trifluoromethyl)pyridazine-3-sulfonamide (PubChem CID 126818891) has the molecular formula C5H4F3N3O2S and a molecular weight of 227.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyridazine-3-sulfonamide.

Molecular Properties

Compound Name5-(trifluoromethyl)pyridazine-3-sulfonamide
PubChem CID126818891
Molecular FormulaC5H4F3N3O2S
Molecular Weight227.17 g/mol
Exact Mass227.00
IUPAC Name5-(trifluoromethyl)pyridazine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C5H4F3N3O2S/c6-5(7,8)3-1-4(11-10-2-3)14(9,12)13/h1-2H,(H2,9,12,13)
InChIKeyICRDLTWGXVVXBQ-UHFFFAOYSA-N
XLogP0.14
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyridazine-3-sulfonamide?
The IUPAC name of 5-(trifluoromethyl)pyridazine-3-sulfonamide (CID 126818891) is 5-(trifluoromethyl)pyridazine-3-sulfonamide.
What is the SMILES notation for 5-(trifluoromethyl)pyridazine-3-sulfonamide?
The canonical SMILES for 5-(trifluoromethyl)pyridazine-3-sulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)cnn1.
What is the InChIKey of 5-(trifluoromethyl)pyridazine-3-sulfonamide?
The InChIKey is ICRDLTWGXVVXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2S/c6-5(7,8)3-1-4(11-10-2-3)14(9,12)13/h1-2H,(H2,9,12,13).
What are the key properties of 5-(trifluoromethyl)pyridazine-3-sulfonamide?
5-(trifluoromethyl)pyridazine-3-sulfonamide has a molecular weight of 227.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyridazine-3-sulfonamide is sourced from PubChem (CID 126818891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).