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

C16H20BrN5O3S2 — CID 122355490

IUPAC4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C16H20BrN5O3S2/c17-14-1-2-16(26-14)27(23,24)22-5-3-21(4-6-22)15-11-13(12-18-19-15)20-7-9-25-10-8-20/h1-2,11-12H,3-10H2
InChIKeyQEUKTBMAIWAKJG-UHFFFAOYSA-N
MW474.41 g/mol
LogP1.65
Rot. Bonds4

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

4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (PubChem CID 122355490) has the molecular formula C16H20BrN5O3S2 and a molecular weight of 474.41 g/mol. Its IUPAC name is 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
PubChem CID122355490
Molecular FormulaC16H20BrN5O3S2
Molecular Weight474.41 g/mol
Exact Mass473.02
IUPAC Name4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C16H20BrN5O3S2/c17-14-1-2-16(26-14)27(23,24)22-5-3-21(4-6-22)15-11-13(12-18-19-15)20-7-9-25-10-8-20/h1-2,11-12H,3-10H2
InChIKeyQEUKTBMAIWAKJG-UHFFFAOYSA-N
XLogP1.65
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[5-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122355811
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-[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-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969068
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
1-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335073
1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2018945

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine (CID 122355490) is 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is O=S(=O)(c1ccc(Br)s1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
The InChIKey is QEUKTBMAIWAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O3S2/c17-14-1-2-16(26-14)27(23,24)22-5-3-21(4-6-22)15-11-13(12-18-19-15)20-7-9-25-10-8-20/h1-2,11-12H,3-10H2.
What are the key properties of 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine?
4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine has a molecular weight of 474.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine is sourced from PubChem (CID 122355490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).