3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine

C15H15F3N4O2S — CID 121060987

IUPAC3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H15F3N4O2S/c16-15(17,18)12-3-5-13(6-4-12)25(23,24)22-10-8-21(9-11-22)14-2-1-7-19-20-14/h1-7H,8-11H2
InChIKeyDWKBLBWGKDMZAL-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.01
Rot. Bonds3

About 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine

3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060987) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060987
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H15F3N4O2S/c16-15(17,18)12-3-5-13(6-4-12)25(23,24)22-10-8-21(9-11-22)14-2-1-7-19-20-14/h1-7H,8-11H2
InChIKeyDWKBLBWGKDMZAL-UHFFFAOYSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine (CID 121060987) is 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is DWKBLBWGKDMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c16-15(17,18)12-3-5-13(6-4-12)25(23,24)22-10-8-21(9-11-22)14-2-1-7-19-20-14/h1-7H,8-11H2.
What are the key properties of 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 372.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).