4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine

C19H22F3N5O4S — CID 91968934

IUPAC4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C19H22F3N5O4S/c20-19(21,22)31-16-1-3-17(4-2-16)32(28,29)27-7-5-26(6-8-27)18-13-15(14-23-24-18)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2
InChIKeyLXCAZUXRYMOJFV-UHFFFAOYSA-N
MW473.48 g/mol
LogP1.72
Rot. Bonds5

About 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine

4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (PubChem CID 91968934) has the molecular formula C19H22F3N5O4S and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
PubChem CID91968934
Molecular FormulaC19H22F3N5O4S
Molecular Weight473.48 g/mol
Exact Mass473.13
IUPAC Name4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C19H22F3N5O4S/c20-19(21,22)31-16-1-3-17(4-2-16)32(28,29)27-7-5-26(6-8-27)18-13-15(14-23-24-18)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2
InChIKeyLXCAZUXRYMOJFV-UHFFFAOYSA-N
XLogP1.72
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968933
4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968904
4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969055
4-[6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968916
4-[6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355504
4-[6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355511
4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355490
4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969068
4-[5-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969049
4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine
CID 91969061
4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968919
4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122355814

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (CID 91968934) is 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The InChIKey is LXCAZUXRYMOJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O4S/c20-19(21,22)31-16-1-3-17(4-2-16)32(28,29)27-7-5-26(6-8-27)18-13-15(14-23-24-18)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2.
What are the key properties of 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine has a molecular weight of 473.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is sourced from PubChem (CID 91968934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).