(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine

C17H19FN2O2S — CID 94915318

IUPAC(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-19-11-12-20(23(21,22)16-5-3-2-4-6-16)13-17(19)14-7-9-15(18)10-8-14/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyINIGZJSYUJIBMA-QGZVFWFLSA-N
MW334.42 g/mol
LogP2.50
Rot. Bonds3

About (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine

(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine (PubChem CID 94915318) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
PubChem CID94915318
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-19-11-12-20(23(21,22)16-5-3-2-4-6-16)13-17(19)14-7-9-15(18)10-8-14/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyINIGZJSYUJIBMA-QGZVFWFLSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110418724
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
CID 145285160
1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 110097833
1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone
CID 118727891
4-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110602947
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
2-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)-1-methylpiperazine
CID 110617346
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine?
The IUPAC name of (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine (CID 94915318) is (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine.
What is the SMILES notation for (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine?
The canonical SMILES for (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine is CN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine?
The InChIKey is INIGZJSYUJIBMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-19-11-12-20(23(21,22)16-5-3-2-4-6-16)13-17(19)14-7-9-15(18)10-8-14/h2-10,17H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine?
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine has a molecular weight of 334.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine is sourced from PubChem (CID 94915318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).