1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine

C19H24N2O3S — CID 2901202

IUPAC1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-2-24-19-11-7-6-8-17(19)16-20-12-14-21(15-13-20)25(22,23)18-9-4-3-5-10-18/h3-11H,2,12-16H2,1H3
InChIKeyKUZAMBYQIYOUMS-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.59
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine (PubChem CID 2901202) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine
PubChem CID2901202
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-2-24-19-11-7-6-8-17(19)16-20-12-14-21(15-13-20)25(22,23)18-9-4-3-5-10-18/h3-11H,2,12-16H2,1H3
InChIKeyKUZAMBYQIYOUMS-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine (CID 2901202) is 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine is CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine?
The InChIKey is KUZAMBYQIYOUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-24-19-11-7-6-8-17(19)16-20-12-14-21(15-13-20)25(22,23)18-9-4-3-5-10-18/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(2-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2901202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).