1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

C20H23FN2O2S — CID 11853447

IUPAC1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCCC2N1CCNCC1
InChIInChI=1S/C20H23FN2O2S/c21-16-4-6-17(7-5-16)26(24,25)18-8-9-19-15(14-18)2-1-3-20(19)23-12-10-22-11-13-23/h4-9,14,20,22H,1-3,10-13H2
InChIKeyJSBMFKFMGDAETJ-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.94
Rot. Bonds3

About 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (PubChem CID 11853447) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
PubChem CID11853447
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCCC2N1CCNCC1
InChIInChI=1S/C20H23FN2O2S/c21-16-4-6-17(7-5-16)26(24,25)18-8-9-19-15(14-18)2-1-3-20(19)23-12-10-22-11-13-23/h4-9,14,20,22H,1-3,10-13H2
InChIKeyJSBMFKFMGDAETJ-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The IUPAC name of 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (CID 11853447) is 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The canonical SMILES for 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCCC2N1CCNCC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The InChIKey is JSBMFKFMGDAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c21-16-4-6-17(7-5-16)26(24,25)18-8-9-19-15(14-18)2-1-3-20(19)23-12-10-22-11-13-23/h4-9,14,20,22H,1-3,10-13H2.
What are the key properties of 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine has a molecular weight of 374.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is sourced from PubChem (CID 11853447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).