1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine

C13H15N3O3S — CID 120876708

IUPAC1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1ccco1)N1CCNCC1c1cccnc1
InChIInChI=1S/C13H15N3O3S/c17-20(18,13-4-2-8-19-13)16-7-6-15-10-12(16)11-3-1-5-14-9-11/h1-5,8-9,12,15H,6-7,10H2
InChIKeyZNUXCUGGLHZBMW-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.01
Rot. Bonds3

About 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine

1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine (PubChem CID 120876708) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
PubChem CID120876708
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1ccco1)N1CCNCC1c1cccnc1
InChIInChI=1S/C13H15N3O3S/c17-20(18,13-4-2-8-19-13)16-7-6-15-10-12(16)11-3-1-5-14-9-11/h1-5,8-9,12,15H,6-7,10H2
InChIKeyZNUXCUGGLHZBMW-UHFFFAOYSA-N
XLogP1.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763986
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride
CID 120876701

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine (CID 120876708) is 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine is O=S(=O)(c1ccco1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine?
The InChIKey is ZNUXCUGGLHZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-20(18,13-4-2-8-19-13)16-7-6-15-10-12(16)11-3-1-5-14-9-11/h1-5,8-9,12,15H,6-7,10H2.
What are the key properties of 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine?
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine has a molecular weight of 293.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120876708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).