4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

C18H21F2N5O3S — CID 91969068

IUPAC4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C18H21F2N5O3S/c19-14-1-2-17(16(20)11-14)29(26,27)25-5-3-23(4-6-25)15-12-18(22-21-13-15)24-7-9-28-10-8-24/h1-2,11-13H,3-10H2
InChIKeyFVTVWVVNMMWYTK-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.10
Rot. Bonds4

About 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 91969068) has the molecular formula C18H21F2N5O3S and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID91969068
Molecular FormulaC18H21F2N5O3S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC Name4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C18H21F2N5O3S/c19-14-1-2-17(16(20)11-14)29(26,27)25-5-3-23(4-6-25)15-12-18(22-21-13-15)24-7-9-28-10-8-24/h1-2,11-13H,3-10H2
InChIKeyFVTVWVVNMMWYTK-UHFFFAOYSA-N
XLogP1.10
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969049
4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968933
4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine
CID 91969061
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-(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-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968934
4-[6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355504
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
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-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 91969068) is 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is FVTVWVVNMMWYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O3S/c19-14-1-2-17(16(20)11-14)29(26,27)25-5-3-23(4-6-25)15-12-18(22-21-13-15)24-7-9-28-10-8-24/h1-2,11-13H,3-10H2.
What are the key properties of 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 425.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 91969068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).