1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine

C17H19FN2O3S — CID 3799087

IUPAC1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C17H19FN2O3S/c1-23-15-6-4-5-14(13-15)19-9-11-20(12-10-19)24(21,22)17-8-3-2-7-16(17)18/h2-8,13H,9-12H2,1H3
InChIKeySCEJCAPUTNCIKI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine

1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine (PubChem CID 3799087) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
PubChem CID3799087
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C17H19FN2O3S/c1-23-15-6-4-5-14(13-15)19-9-11-20(12-10-19)24(21,22)17-8-3-2-7-16(17)18/h2-8,13H,9-12H2,1H3
InChIKeySCEJCAPUTNCIKI-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(2-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 8749202
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one
CID 53161861
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 55365640
methyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 53069031
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine (CID 3799087) is 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The InChIKey is SCEJCAPUTNCIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-23-15-6-4-5-14(13-15)19-9-11-20(12-10-19)24(21,22)17-8-3-2-7-16(17)18/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine has a molecular weight of 350.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 3799087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).