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

C19H22F3N5O3S — CID 91968933

IUPAC4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C19H22F3N5O3S/c20-19(21,22)15-1-3-17(4-2-15)31(28,29)27-7-5-26(6-8-27)18-13-16(14-23-24-18)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2
InChIKeyKOMDUVXNVXRIBW-UHFFFAOYSA-N
MW457.48 g/mol
LogP1.84
Rot. Bonds4

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

4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (PubChem CID 91968933) has the molecular formula C19H22F3N5O3S and a molecular weight of 457.48 g/mol. Its IUPAC name is 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
PubChem CID91968933
Molecular FormulaC19H22F3N5O3S
Molecular Weight457.48 g/mol
Exact Mass457.14
IUPAC Name4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C19H22F3N5O3S/c20-19(21,22)15-1-3-17(4-2-15)31(28,29)27-7-5-26(6-8-27)18-13-16(14-23-24-18)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2
InChIKeyKOMDUVXNVXRIBW-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968934
4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355503
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-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968904
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-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122355814
4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355490

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (CID 91968933) is 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The InChIKey is KOMDUVXNVXRIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3S/c20-19(21,22)15-1-3-17(4-2-15)31(28,29)27-7-5-26(6-8-27)18-13-16(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-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine has a molecular weight of 457.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is sourced from PubChem (CID 91968933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).