1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine

C16H20N2O4S2 — CID 1317131

IUPAC1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H20N2O4S2/c1-2-23(19,20)17-9-11-18(12-10-17)24(21,22)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyQMFYNRVZEQMAHP-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.50
Rot. Bonds4

About 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine

1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 1317131) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID1317131
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H20N2O4S2/c1-2-23(19,20)17-9-11-18(12-10-17)24(21,22)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyQMFYNRVZEQMAHP-UHFFFAOYSA-N
XLogP1.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine (CID 1317131) is 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is QMFYNRVZEQMAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-2-23(19,20)17-9-11-18(12-10-17)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 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 368.48 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1317131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).