1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

C18H21FN2O3S — CID 1122459

IUPAC1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-24-17-5-7-18(8-6-17)25(22,23)21-11-9-20(10-12-21)14-15-3-2-4-16(19)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyDSQHUDOWPMOGPJ-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.34
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 1122459) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID1122459
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-24-17-5-7-18(8-6-17)25(22,23)21-11-9-20(10-12-21)14-15-3-2-4-16(19)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyDSQHUDOWPMOGPJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 711111
1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-phenyl]-ethyl}-piperazine
CID 10180872
4-Cyclohexyl-1-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-2-methyl-piperazine
CID 15463387
(2R)-4-cyclohexyl-1-[(1R)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]-2-methylpiperazine
CID 15463388
Dasa-23
CID 25243725
1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-piperazine
CID 44312451
4-Cyclohexyl-1-[4-(4-methoxy-benzenesulfonyl)-benzyl]-2-methyl-piperazine
CID 44378810
1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-2-methyl-piperazine
CID 44378811
(2R)-1-cyclohexyl-4-[(1R)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]-2-methylpiperazine
CID 44378846
9-Benzyl-1,5-bis[(4-methoxyphenyl)sulfonyl]-3-methylene-1,5,9-triazacyclododecane
CID 11671693
1-(2,5-Dimethoxybenzyl)-4-(phenylsulfonyl)piperazine
CID 1122528
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (CID 1122459) is 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is DSQHUDOWPMOGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-24-17-5-7-18(8-6-17)25(22,23)21-11-9-20(10-12-21)14-15-3-2-4-16(19)13-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 364.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1122459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).