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

C18H22N6O5S — CID 18575349

IUPAC4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C18H22N6O5S/c25-24(26)15-1-3-16(4-2-15)30(27,28)23-9-7-21(8-10-23)17-5-6-18(20-19-17)22-11-13-29-14-12-22/h1-6H,7-14H2
InChIKeyLCFLQUYTPGHHOQ-UHFFFAOYSA-N
MW434.48 g/mol
LogP0.73
Rot. Bonds5

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

4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 18575349) has the molecular formula C18H22N6O5S and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID18575349
Molecular FormulaC18H22N6O5S
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC Name4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C18H22N6O5S/c25-24(26)15-1-3-16(4-2-15)30(27,28)23-9-7-21(8-10-23)17-5-6-18(20-19-17)22-11-13-29-14-12-22/h1-6H,7-14H2
InChIKeyLCFLQUYTPGHHOQ-UHFFFAOYSA-N
XLogP0.73
TPSA122.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 18575349) is 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1.
What is the InChIKey of 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is LCFLQUYTPGHHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O5S/c25-24(26)15-1-3-16(4-2-15)30(27,28)23-9-7-21(8-10-23)17-5-6-18(20-19-17)22-11-13-29-14-12-22/h1-6H,7-14H2.
What are the key properties of 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 434.48 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 18575349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).