1-(3-fluorophenyl)sulfonyl-4-methylpiperazine

C11H15FN2O2S — CID 852182

IUPAC1-(3-fluorophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C11H15FN2O2S/c1-13-5-7-14(8-6-13)17(15,16)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
InChIKeyXISZKCFQQNUFOI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.76
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine

1-(3-fluorophenyl)sulfonyl-4-methylpiperazine (PubChem CID 852182) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-methylpiperazine
PubChem CID852182
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C11H15FN2O2S/c1-13-5-7-14(8-6-13)17(15,16)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
InChIKeyXISZKCFQQNUFOI-UHFFFAOYSA-N
XLogP0.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-(Benzenesulfonyl)piperazine
CID 808712
1,4-Bis[(2,6-difluorophenyl)sulfonyl]piperazine
CID 25243724
N,N-Diethylbenzenesulfonamide
CID 74367
1-(Phenylsulfonyl)piperidine
CID 78733
1-(4-Fluorobenzenesulfonyl)piperazine
CID 2063342
3-[(4-Fluorophenyl)sulfonyl]-1,3,5-triazabicyclo[3.2.1]octane
CID 4749448
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 5063897
N,N-diethyl-4-fluorobenzenesulfonamide
CID 669059
1-(Benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1151435

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine (CID 852182) is 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine?
The InChIKey is XISZKCFQQNUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-13-5-7-14(8-6-13)17(15,16)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine?
1-(3-fluorophenyl)sulfonyl-4-methylpiperazine has a molecular weight of 258.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 852182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).