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

C20H23FN2O4S — CID 24543147

IUPAC1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-4-2-3-16(15-18)5-10-20(24)22-11-13-23(14-12-22)28(25,26)19-8-6-17(21)7-9-19/h2-4,6-9,15H,5,10-14H2,1H3
InChIKeyIESNNMYTJIMQTM-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.30
Rot. Bonds6

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

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one (PubChem CID 24543147) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
PubChem CID24543147
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-4-2-3-16(15-18)5-10-20(24)22-11-13-23(14-12-22)28(25,26)19-8-6-17(21)7-9-19/h2-4,6-9,15H,5,10-14H2,1H3
InChIKeyIESNNMYTJIMQTM-UHFFFAOYSA-N
XLogP2.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(3-methoxy-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625863
(4-(3-isopropoxy-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625864
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
1-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 2576575
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
1-((4-fluorophenyl)sulfonyl)-N-(3-((3-methoxybenzyl)amino)-3-oxopropyl)piperidine-4-carboxamide
CID 17585900
4-methoxy-N-[2-(4-morpholinyl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1092325
4-(3-Methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 4803230
1-(4-Ethoxyphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 4850023
3-(4-Methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 4881152
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 9369504
1-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 16229359

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one (CID 24543147) is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one is COc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is IESNNMYTJIMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-27-18-4-2-3-16(15-18)5-10-20(24)22-11-13-23(14-12-22)28(25,26)19-8-6-17(21)7-9-19/h2-4,6-9,15H,5,10-14H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 406.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 24543147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).