5-(trifluoromethyl)pyridazine-3-sulfonyl chloride

C5H2ClF3N2O2S — CID 164645382

IUPAC5-(trifluoromethyl)pyridazine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C5H2ClF3N2O2S/c6-14(12,13)4-1-3(2-10-11-4)5(7,8)9/h1-2H
InChIKeyUTDHNBNLYFHYJF-UHFFFAOYSA-N
MW246.60 g/mol
LogP1.42
Rot. Bonds1

About 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride

5-(trifluoromethyl)pyridazine-3-sulfonyl chloride (PubChem CID 164645382) has the molecular formula C5H2ClF3N2O2S and a molecular weight of 246.60 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(trifluoromethyl)pyridazine-3-sulfonyl chloride
PubChem CID164645382
Molecular FormulaC5H2ClF3N2O2S
Molecular Weight246.60 g/mol
Exact Mass245.95
IUPAC Name5-(trifluoromethyl)pyridazine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C5H2ClF3N2O2S/c6-14(12,13)4-1-3(2-10-11-4)5(7,8)9/h1-2H
InChIKeyUTDHNBNLYFHYJF-UHFFFAOYSA-N
XLogP1.42
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride?
The IUPAC name of 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride (CID 164645382) is 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride.
What is the SMILES notation for 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride?
The canonical SMILES for 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)cnn1.
What is the InChIKey of 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride?
The InChIKey is UTDHNBNLYFHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2O2S/c6-14(12,13)4-1-3(2-10-11-4)5(7,8)9/h1-2H.
What are the key properties of 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride?
5-(trifluoromethyl)pyridazine-3-sulfonyl chloride has a molecular weight of 246.60 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyridazine-3-sulfonyl chloride is sourced from PubChem (CID 164645382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).