4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

C20H27N5O5S — CID 50806875

IUPAC4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OC
InChIInChI=1S/C20H27N5O5S/c1-28-17-4-3-16(15-18(17)29-2)31(26,27)25-9-7-23(8-10-25)19-5-6-20(22-21-19)24-11-13-30-14-12-24/h3-6,15H,7-14H2,1-2H3
InChIKeyWCFLOSMZRBRMSW-UHFFFAOYSA-N
MW449.53 g/mol
LogP0.84
Rot. Bonds6

About 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 50806875) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID50806875
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OC
InChIInChI=1S/C20H27N5O5S/c1-28-17-4-3-16(15-18(17)29-2)31(26,27)25-9-7-23(8-10-25)19-5-6-20(22-21-19)24-11-13-30-14-12-24/h3-6,15H,7-14H2,1-2H3
InChIKeyWCFLOSMZRBRMSW-UHFFFAOYSA-N
XLogP0.84
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
CID 108781202
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 46088188
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 50806875) is 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OC.
What is the InChIKey of 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is WCFLOSMZRBRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-28-17-4-3-16(15-18(17)29-2)31(26,27)25-9-7-23(8-10-25)19-5-6-20(22-21-19)24-11-13-30-14-12-24/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 449.53 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 50806875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).