1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine

C19H22N2O3S — CID 39911941

IUPAC1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-25(23,18-6-7-19-17(14-18)8-13-24-19)21-11-9-20(10-12-21)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
InChIKeyUBFBEOFQXHURHH-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.13
Rot. Bonds4

About 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine

1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine (PubChem CID 39911941) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
PubChem CID39911941
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-25(23,18-6-7-19-17(14-18)8-13-24-19)21-11-9-20(10-12-21)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
InChIKeyUBFBEOFQXHURHH-UHFFFAOYSA-N
XLogP2.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
The IUPAC name of 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine (CID 39911941) is 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
The InChIKey is UBFBEOFQXHURHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-25(23,18-6-7-19-17(14-18)8-13-24-19)21-11-9-20(10-12-21)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2.
What are the key properties of 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine has a molecular weight of 358.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine is sourced from PubChem (CID 39911941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).