1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine

C15H20N2O3S — CID 128579357

IUPAC1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cccc3ccoc23)C(C)C1
InChIInChI=1S/C15H20N2O3S/c1-3-16-8-9-17(12(2)11-16)21(18,19)14-6-4-5-13-7-10-20-15(13)14/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyXCMHYPNPVHJJFD-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.15
Rot. Bonds3

About 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine

1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine (PubChem CID 128579357) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine
PubChem CID128579357
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cccc3ccoc23)C(C)C1
InChIInChI=1S/C15H20N2O3S/c1-3-16-8-9-17(12(2)11-16)21(18,19)14-6-4-5-13-7-10-20-15(13)14/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyXCMHYPNPVHJJFD-UHFFFAOYSA-N
XLogP2.15
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine?
The IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine (CID 128579357) is 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine?
The canonical SMILES for 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine is CCN1CCN(S(=O)(=O)c2cccc3ccoc23)C(C)C1.
What is the InChIKey of 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine?
The InChIKey is XCMHYPNPVHJJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-16-8-9-17(12(2)11-16)21(18,19)14-6-4-5-13-7-10-20-15(13)14/h4-7,10,12H,3,8-9,11H2,1-2H3.
What are the key properties of 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine?
1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine has a molecular weight of 308.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine is sourced from PubChem (CID 128579357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).