[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone

C16H16F2N2O4S — CID 9156819

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H16F2N2O4S/c1-11-12(5-10-24-11)16(21)19-6-8-20(9-7-19)25(22,23)15-13(17)3-2-4-14(15)18/h2-5,10H,6-9H2,1H3
InChIKeyALMLLGBRFCEDFQ-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.01
Rot. Bonds3

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 9156819) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID9156819
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H16F2N2O4S/c1-11-12(5-10-24-11)16(21)19-6-8-20(9-7-19)25(22,23)15-13(17)3-2-4-14(15)18/h2-5,10H,6-9H2,1H3
InChIKeyALMLLGBRFCEDFQ-UHFFFAOYSA-N
XLogP2.01
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone (CID 9156819) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is ALMLLGBRFCEDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-11-12(5-10-24-11)16(21)19-6-8-20(9-7-19)25(22,23)15-13(17)3-2-4-14(15)18/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 370.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 9156819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).