[4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C20H20N2O4S — CID 2225152

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C20H20N2O4S/c1-15-17-9-5-6-10-18(17)26-19(15)20(23)21-11-13-22(14-12-21)27(24,25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeySPHGUILKVCUQGA-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.89
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 2225152) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID2225152
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C20H20N2O4S/c1-15-17-9-5-6-10-18(17)26-19(15)20(23)21-11-13-22(14-12-21)27(24,25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeySPHGUILKVCUQGA-UHFFFAOYSA-N
XLogP2.89
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.89
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]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 2225152) is [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)oc2ccccc12.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is SPHGUILKVCUQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-15-17-9-5-6-10-18(17)26-19(15)20(23)21-11-13-22(14-12-21)27(24,25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 384.46 g/mol, XLogP of 2.89, 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]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2225152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).