1-ethyl-4-naphthalen-2-ylsulfonylpiperazine

C16H20N2O2S — CID 973966

IUPAC1-ethyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H20N2O2S/c1-2-17-9-11-18(12-10-17)21(19,20)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyLGCNCFJLDZLDCO-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.17
Rot. Bonds3

About 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine

1-ethyl-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 973966) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID973966
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name1-ethyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H20N2O2S/c1-2-17-9-11-18(12-10-17)21(19,20)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyLGCNCFJLDZLDCO-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine (CID 973966) is 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine is CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is LGCNCFJLDZLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-17-9-11-18(12-10-17)21(19,20)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine?
1-ethyl-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 304.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 973966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).