1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione

C23H27FN2O4S — CID 26870722

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione
SMILESCCCc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O4S/c1-2-5-18-8-10-19(11-9-18)21(27)12-13-23(28)25-14-16-26(17-15-25)31(29,30)22-7-4-3-6-20(22)24/h3-4,6-11H,2,5,12-17H2,1H3
InChIKeyZADLMWUGOFDZKW-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.27
Rot. Bonds8

About 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione (PubChem CID 26870722) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione
PubChem CID26870722
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione
SMILESCCCc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O4S/c1-2-5-18-8-10-19(11-9-18)21(27)12-13-23(28)25-14-16-26(17-15-25)31(29,30)22-7-4-3-6-20(22)24/h3-4,6-11H,2,5,12-17H2,1H3
InChIKeyZADLMWUGOFDZKW-UHFFFAOYSA-N
XLogP3.27
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione with MolForge

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Related Compounds

1-(4-chlorophenyl)-4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 26757215
3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429151
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 16616569
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 9429456
1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-ethylphenyl)butane-1,4-dione
CID 27757239
methyl 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetate
CID 18201955
3-(2-fluorophenyl)-1-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603278
[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 9018141
tert-butyl N-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate
CID 9046993
4-tert-butyl-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 26870631
2-(2-ethoxyphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4812335
N-[2-(4-fluorophenyl)ethyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27532247

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione (CID 26870722) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione is CCCc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione?
The InChIKey is ZADLMWUGOFDZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-2-5-18-8-10-19(11-9-18)21(27)12-13-23(28)25-14-16-26(17-15-25)31(29,30)22-7-4-3-6-20(22)24/h3-4,6-11H,2,5,12-17H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione has a molecular weight of 446.54 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione is sourced from PubChem (CID 26870722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).