[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone

C16H17FN2O4S — CID 9115901

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O4S/c1-12-15(6-11-23-12)16(20)18-7-9-19(10-8-18)24(21,22)14-4-2-13(17)3-5-14/h2-6,11H,7-10H2,1H3
InChIKeyJLEFQYGLJABJBT-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.87
Rot. Bonds3

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 9115901) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID9115901
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O4S/c1-12-15(6-11-23-12)16(20)18-7-9-19(10-8-18)24(21,22)14-4-2-13(17)3-5-14/h2-6,11H,7-10H2,1H3
InChIKeyJLEFQYGLJABJBT-UHFFFAOYSA-N
XLogP1.87
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone (CID 9115901) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is JLEFQYGLJABJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-12-15(6-11-23-12)16(20)18-7-9-19(10-8-18)24(21,22)14-4-2-13(17)3-5-14/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 9115901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).