1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone

C19H22N2O4S — CID 649895

IUPAC1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c22-19(15-25-18-9-5-2-6-10-18)20-11-13-21(14-12-20)26(23,24)16-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyBLWJANNPJXWILQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.74
Rot. Bonds6

About 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone

1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone (PubChem CID 649895) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone
PubChem CID649895
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c22-19(15-25-18-9-5-2-6-10-18)20-11-13-21(14-12-20)26(23,24)16-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyBLWJANNPJXWILQ-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone (CID 649895) is 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone?
The InChIKey is BLWJANNPJXWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(15-25-18-9-5-2-6-10-18)20-11-13-21(14-12-20)26(23,24)16-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone?
1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone has a molecular weight of 374.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylsulfonylpiperazin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 649895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).