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

C22H31N5O4S — CID 91968904

IUPAC4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1
InChIInChI=1S/C22H31N5O4S/c1-2-3-14-31-20-4-6-21(7-5-20)32(28,29)27-10-8-26(9-11-27)22-17-19(18-23-24-22)25-12-15-30-16-13-25/h4-7,17-18H,2-3,8-16H2,1H3
InChIKeyQVLOZZCLASSLKY-UHFFFAOYSA-N
MW461.59 g/mol
LogP2.00
Rot. Bonds8

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

4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (PubChem CID 91968904) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
PubChem CID91968904
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC Name4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1
InChIInChI=1S/C22H31N5O4S/c1-2-3-14-31-20-4-6-21(7-5-20)32(28,29)27-10-8-26(9-11-27)22-17-19(18-23-24-22)25-12-15-30-16-13-25/h4-7,17-18H,2-3,8-16H2,1H3
InChIKeyQVLOZZCLASSLKY-UHFFFAOYSA-N
XLogP2.00
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968934
6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 91968767
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-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968919
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-[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-[5-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969049
4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122355814
4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969068

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (CID 91968904) is 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1.
What is the InChIKey of 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The InChIKey is QVLOZZCLASSLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-2-3-14-31-20-4-6-21(7-5-20)32(28,29)27-10-8-26(9-11-27)22-17-19(18-23-24-22)25-12-15-30-16-13-25/h4-7,17-18H,2-3,8-16H2,1H3.
What are the key properties of 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine has a molecular weight of 461.59 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is sourced from PubChem (CID 91968904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).