(2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C17H19FN2O4S — CID 2477132

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)o1
InChIInChI=1S/C17H19FN2O4S/c1-12-11-14(13(2)24-12)17(21)19-7-9-20(10-8-19)25(22,23)16-6-4-3-5-15(16)18/h3-6,11H,7-10H2,1-2H3
InChIKeyCKICKGJQKLEXKE-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.18
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2477132) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2477132
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)o1
InChIInChI=1S/C17H19FN2O4S/c1-12-11-14(13(2)24-12)17(21)19-7-9-20(10-8-19)25(22,23)16-6-4-3-5-15(16)18/h3-6,11H,7-10H2,1-2H3
InChIKeyCKICKGJQKLEXKE-UHFFFAOYSA-N
XLogP2.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 2477132) is (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is CKICKGJQKLEXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12-11-14(13(2)24-12)17(21)19-7-9-20(10-8-19)25(22,23)16-6-4-3-5-15(16)18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 366.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2477132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).