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

C18H23N5O2S — CID 7287685

IUPAC3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C18H23N5O2S/c24-26(25,16-6-2-1-3-7-16)23-14-12-22(13-15-23)18-9-8-17(19-20-18)21-10-4-5-11-21/h1-3,6-9H,4-5,10-15H2
InChIKeyJPVOHNJZCNHFMG-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.59
Rot. Bonds4

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

3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine (PubChem CID 7287685) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
PubChem CID7287685
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C18H23N5O2S/c24-26(25,16-6-2-1-3-7-16)23-14-12-22(13-15-23)18-9-8-17(19-20-18)21-10-4-5-11-21/h1-3,6-9H,4-5,10-15H2
InChIKeyJPVOHNJZCNHFMG-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
CID 90539599
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
3-(2-methylpiperidin-1-yl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052879
2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122334539
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121053184
1-(benzenesulfonyl)-4-(4-methyl-2-pyridinyl)-1,4-diazepane
CID 136514751
1-[6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335094
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine (CID 7287685) is 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine is O=S(=O)(c1ccccc1)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
The InChIKey is JPVOHNJZCNHFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-26(25,16-6-2-1-3-7-16)23-14-12-22(13-15-23)18-9-8-17(19-20-18)21-10-4-5-11-21/h1-3,6-9H,4-5,10-15H2.
What are the key properties of 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine?
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine has a molecular weight of 373.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 7287685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).