4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

C24H27N5O3S — CID 91969055

IUPAC4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C24H27N5O3S/c30-33(31,23-8-6-21(7-9-23)20-4-2-1-3-5-20)29-12-10-27(11-13-29)22-18-24(26-25-19-22)28-14-16-32-17-15-28/h1-9,18-19H,10-17H2
InChIKeyODUBYOFNDSSRRK-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.49
Rot. Bonds5

About 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 91969055) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID91969055
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C24H27N5O3S/c30-33(31,23-8-6-21(7-9-23)20-4-2-1-3-5-20)29-12-10-27(11-13-29)22-18-24(26-25-19-22)28-14-16-32-17-15-28/h1-9,18-19H,10-17H2
InChIKeyODUBYOFNDSSRRK-UHFFFAOYSA-N
XLogP2.49
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968916
4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968933
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
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-(2,5-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-(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-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122355814
N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 71807528

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 91969055) is 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is ODUBYOFNDSSRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c30-33(31,23-8-6-21(7-9-23)20-4-2-1-3-5-20)29-12-10-27(11-13-29)22-18-24(26-25-19-22)28-14-16-32-17-15-28/h1-9,18-19H,10-17H2.
What are the key properties of 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 465.58 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 91969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).