[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C17H20N2O5S — CID 1258993

IUPAC[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O5S/c1-2-23-14-5-7-15(8-6-14)25(21,22)19-11-9-18(10-12-19)17(20)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyJVQYYJMBFSMXJG-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.83
Rot. Bonds5

About [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1258993) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1258993
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O5S/c1-2-23-14-5-7-15(8-6-14)25(21,22)19-11-9-18(10-12-19)17(20)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyJVQYYJMBFSMXJG-UHFFFAOYSA-N
XLogP1.83
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 1258993) is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JVQYYJMBFSMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-2-23-14-5-7-15(8-6-14)25(21,22)19-11-9-18(10-12-19)17(20)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1258993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).