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

C17H18N2O4S — CID 2552001

IUPACfuran-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H18N2O4S/c20-17(16-7-4-13-23-16)18-9-11-19(12-10-18)24(21,22)14-8-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2/b14-8+
InChIKeyWJFQHUDLYZPFSV-RIYZIHGNSA-N
MW346.41 g/mol
LogP2.04
Rot. Bonds4

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

furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 2552001) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID2552001
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Namefuran-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H18N2O4S/c20-17(16-7-4-13-23-16)18-9-11-19(12-10-18)24(21,22)14-8-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2/b14-8+
InChIKeyWJFQHUDLYZPFSV-RIYZIHGNSA-N
XLogP2.04
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (CID 2552001) is furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is WJFQHUDLYZPFSV-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-17(16-7-4-13-23-16)18-9-11-19(12-10-18)24(21,22)14-8-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2/b14-8+.
What are the key properties of furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 346.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2552001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).