3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine

C19H21N5O2S2 — CID 90490653

IUPAC3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccn4)nn3)CC2)s1
InChIInChI=1S/C19H21N5O2S2/c1-2-15-6-9-19(27-15)28(25,26)24-13-11-23(12-14-24)18-8-7-17(21-22-18)16-5-3-4-10-20-16/h3-10H,2,11-14H2,1H3
InChIKeyXJRVKCQBCDNCKZ-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.67
Rot. Bonds5

About 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine

3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine (PubChem CID 90490653) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
PubChem CID90490653
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccn4)nn3)CC2)s1
InChIInChI=1S/C19H21N5O2S2/c1-2-15-6-9-19(27-15)28(25,26)24-13-11-23(12-14-24)18-8-7-17(21-22-18)16-5-3-4-10-20-16/h3-10H,2,11-14H2,1H3
InChIKeyXJRVKCQBCDNCKZ-UHFFFAOYSA-N
XLogP2.67
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 121058580
6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 122348014
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490637
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337353
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338861
3-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490687

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine (CID 90490653) is 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccn4)nn3)CC2)s1.
What is the InChIKey of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The InChIKey is XJRVKCQBCDNCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c1-2-15-6-9-19(27-15)28(25,26)24-13-11-23(12-14-24)18-8-7-17(21-22-18)16-5-3-4-10-20-16/h3-10H,2,11-14H2,1H3.
What are the key properties of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine has a molecular weight of 415.54 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 90490653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).