ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate

C17H20N2O4S — CID 829484

IUPACethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(20)18-9-11-19(12-10-18)24(21,22)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyLQJJFKWDTUXBLD-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.30
Rot. Bonds3

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

ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate (PubChem CID 829484) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate
PubChem CID829484
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(20)18-9-11-19(12-10-18)24(21,22)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyLQJJFKWDTUXBLD-UHFFFAOYSA-N
XLogP2.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate (CID 829484) is ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate?
The InChIKey is LQJJFKWDTUXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-23-17(20)18-9-11-19(12-10-18)24(21,22)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 ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate?
ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-naphthalen-2-ylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 829484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).