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

C17H20N2O4S — CID 712595

IUPAC[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C17H20N2O4S/c1-13-5-6-15(12-14(13)2)24(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMGCSTDGTPUQDTK-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.04
Rot. Bonds3

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

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 712595) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID712595
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C17H20N2O4S/c1-13-5-6-15(12-14(13)2)24(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMGCSTDGTPUQDTK-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

Analyze [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 712595) is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MGCSTDGTPUQDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-5-6-15(12-14(13)2)24(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-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-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 712595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).