1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine

C15H23FN2O2S — CID 107327150

IUPAC1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)CC1C
InChIInChI=1S/C15H23FN2O2S/c1-5-17-6-7-18(10-13(17)4)21(19,20)15-11(2)8-14(16)9-12(15)3/h8-9,13H,5-7,10H2,1-4H3
InChIKeyCWNUEOQUOOXJDJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.16
Rot. Bonds3

About 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine

1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine (PubChem CID 107327150) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine
PubChem CID107327150
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)CC1C
InChIInChI=1S/C15H23FN2O2S/c1-5-17-6-7-18(10-13(17)4)21(19,20)15-11(2)8-14(16)9-12(15)3/h8-9,13H,5-7,10H2,1-4H3
InChIKeyCWNUEOQUOOXJDJ-UHFFFAOYSA-N
XLogP2.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102753806
4-[4-(chloromethyl)-2-fluorophenyl]sulfonyl-1-ethyl-2-methylpiperazine
CID 79177458
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone
CID 107327681
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 107328373
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
CID 107326940
4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
CID 63605466
1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 63616216
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605128

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine (CID 107327150) is 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine is CCN1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)CC1C.
What is the InChIKey of 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine?
The InChIKey is CWNUEOQUOOXJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-5-17-6-7-18(10-13(17)4)21(19,20)15-11(2)8-14(16)9-12(15)3/h8-9,13H,5-7,10H2,1-4H3.
What are the key properties of 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine?
1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine has a molecular weight of 314.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 107327150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).