3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine

C17H18N6O2S — CID 90539599

IUPAC3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C17H18N6O2S/c24-26(25,15-4-2-1-3-5-15)23-12-10-21(11-13-23)16-6-7-17(20-19-16)22-9-8-18-14-22/h1-9,14H,10-13H2
InChIKeyJLEPOIGTAFIVHB-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.17
Rot. Bonds4

About 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine

3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine (PubChem CID 90539599) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
PubChem CID90539599
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C17H18N6O2S/c24-26(25,15-4-2-1-3-5-15)23-12-10-21(11-13-23)16-6-7-17(20-19-16)22-9-8-18-14-22/h1-9,14H,10-13H2
InChIKeyJLEPOIGTAFIVHB-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539670
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56919524
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 56700230
4-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122338679
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine
CID 14664372
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338388
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine?
The IUPAC name of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine (CID 90539599) is 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine.
What is the SMILES notation for 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine?
The canonical SMILES for 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine is O=S(=O)(c1ccccc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine?
The InChIKey is JLEPOIGTAFIVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c24-26(25,15-4-2-1-3-5-15)23-12-10-21(11-13-23)16-6-7-17(20-19-16)22-9-8-18-14-22/h1-9,14H,10-13H2.
What are the key properties of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine?
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine has a molecular weight of 370.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine is sourced from PubChem (CID 90539599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).