[4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone

C15H16N2O4S — CID 719657

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16N2O4S/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyHCDOLKLOOKFUAW-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.43
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 719657) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID719657
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16N2O4S/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyHCDOLKLOOKFUAW-UHFFFAOYSA-N
XLogP1.43
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.43
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]-(furan-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 719657) is [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is HCDOLKLOOKFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-7,12H,8-11H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 320.37 g/mol, XLogP of 1.43, 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]-(furan-2-yl)methanone is sourced from PubChem (CID 719657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).