furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C16H18N2O5S — CID 1279850

IUPACfuran-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C16H18N2O5S/c1-22-13-4-2-5-14(12-13)24(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-23-15/h2-6,11-12H,7-10H2,1H3
InChIKeyPWTOOXYZLCONBH-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.43
Rot. Bonds4

About furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 1279850) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID1279850
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Namefuran-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C16H18N2O5S/c1-22-13-4-2-5-14(12-13)24(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-23-15/h2-6,11-12H,7-10H2,1H3
InChIKeyPWTOOXYZLCONBH-UHFFFAOYSA-N
XLogP1.43
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 1279850) is furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is PWTOOXYZLCONBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-13-4-2-5-14(12-13)24(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-23-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 350.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 1279850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).