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

C14H21FN2O2S — CID 82252310

IUPAC1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(S(=O)(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C14H21FN2O2S/c1-11(2)9-13-10-17(8-7-16-13)20(18,19)14-5-3-12(15)4-6-14/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyVYKVMCYWNBIXCY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.83
Rot. Bonds4

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

1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine (PubChem CID 82252310) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine
PubChem CID82252310
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(S(=O)(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C14H21FN2O2S/c1-11(2)9-13-10-17(8-7-16-13)20(18,19)14-5-3-12(15)4-6-14/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyVYKVMCYWNBIXCY-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine (CID 82252310) is 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine is CC(C)CC1CN(S(=O)(=O)c2ccc(F)cc2)CCN1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine?
The InChIKey is VYKVMCYWNBIXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11(2)9-13-10-17(8-7-16-13)20(18,19)14-5-3-12(15)4-6-14/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine?
1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine has a molecular weight of 300.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 82252310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).