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

C16H15F3N2O4S — CID 9156768

IUPAC(2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H15F3N2O4S/c1-10-11(4-9-25-10)16(22)20-5-7-21(8-6-20)26(23,24)13-3-2-12(17)14(18)15(13)19/h2-4,9H,5-8H2,1H3
InChIKeyHVWFSYSQKBDYGR-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.15
Rot. Bonds3

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

(2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 9156768) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID9156768
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name(2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H15F3N2O4S/c1-10-11(4-9-25-10)16(22)20-5-7-21(8-6-20)26(23,24)13-3-2-12(17)14(18)15(13)19/h2-4,9H,5-8H2,1H3
InChIKeyHVWFSYSQKBDYGR-UHFFFAOYSA-N
XLogP2.15
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 9156768) is (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone is Cc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is HVWFSYSQKBDYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-10-11(4-9-25-10)16(22)20-5-7-21(8-6-20)26(23,24)13-3-2-12(17)14(18)15(13)19/h2-4,9H,5-8H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone?
(2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 388.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 9156768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).