4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine

C22H31N5O5S — CID 91968919

IUPAC4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1
InChIInChI=1S/C22H31N5O5S/c1-3-31-19-5-6-20(32-4-2)21(16-19)33(28,29)27-9-7-26(8-10-27)22-15-18(17-23-24-22)25-11-13-30-14-12-25/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyORYPYYUFBDXKNC-UHFFFAOYSA-N
MW477.59 g/mol
LogP1.62
Rot. Bonds8

About 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine

4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (PubChem CID 91968919) has the molecular formula C22H31N5O5S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
PubChem CID91968919
Molecular FormulaC22H31N5O5S
Molecular Weight477.59 g/mol
Exact Mass477.20
IUPAC Name4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1
InChIInChI=1S/C22H31N5O5S/c1-3-31-19-5-6-20(32-4-2)21(16-19)33(28,29)27-9-7-26(8-10-27)22-15-18(17-23-24-22)25-11-13-30-14-12-25/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyORYPYYUFBDXKNC-UHFFFAOYSA-N
XLogP1.62
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968904
4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine
CID 91969061
4-[5-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969049
4-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343394
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904
4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969068
4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968934
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
3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121053243
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (CID 91968919) is 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1.
What is the InChIKey of 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The InChIKey is ORYPYYUFBDXKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O5S/c1-3-31-19-5-6-20(32-4-2)21(16-19)33(28,29)27-9-7-26(8-10-27)22-15-18(17-23-24-22)25-11-13-30-14-12-25/h5-6,15-17H,3-4,7-14H2,1-2H3.
What are the key properties of 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine has a molecular weight of 477.59 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is sourced from PubChem (CID 91968919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).