3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C20H23FN2O3S — CID 110421823

IUPAC3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN2O3S/c1-16-3-2-4-19(15-16)27(25,26)23-13-11-22(12-14-23)20(24)10-7-17-5-8-18(21)9-6-17/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyGOTQPPMXYYMLKZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 110421823) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID110421823
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN2O3S/c1-16-3-2-4-19(15-16)27(25,26)23-13-11-22(12-14-23)20(24)10-7-17-5-8-18(21)9-6-17/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyGOTQPPMXYYMLKZ-UHFFFAOYSA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
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3-(4-ethylphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
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3-(4-fluorophenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 30709315
3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
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1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 24635421
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 27040811
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110396219
4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
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1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797265
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 24554657

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 110421823) is 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one is Cc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is GOTQPPMXYYMLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-16-3-2-4-19(15-16)27(25,26)23-13-11-22(12-14-23)20(24)10-7-17-5-8-18(21)9-6-17/h2-6,8-9,15H,7,10-14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 390.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 110421823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).