[4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C17H20N2O4S — CID 7661823

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C17H20N2O4S/c1-13-12-16(14(2)23-13)17(20)18-8-10-19(11-9-18)24(21,22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyHOXTYPIGTQRMTP-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.04
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 7661823) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID7661823
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C17H20N2O4S/c1-13-12-16(14(2)23-13)17(20)18-8-10-19(11-9-18)24(21,22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyHOXTYPIGTQRMTP-UHFFFAOYSA-N
XLogP2.04
TPSA70.83 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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 7661823) is [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)o1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is HOXTYPIGTQRMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-12-16(14(2)23-13)17(20)18-8-10-19(11-9-18)24(21,22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 348.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 7661823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).