1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine

C20H19FN2O2S — CID 1239306

IUPAC1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O2S/c21-17-8-10-18(11-9-17)22-12-14-23(15-13-22)26(24,25)20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2
InChIKeyBZLVHYBNAPJHMP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine

1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine (PubChem CID 1239306) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine
PubChem CID1239306
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O2S/c21-17-8-10-18(11-9-17)22-12-14-23(15-13-22)26(24,25)20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2
InChIKeyBZLVHYBNAPJHMP-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine (CID 1239306) is 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine is O=S(=O)(c1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine?
The InChIKey is BZLVHYBNAPJHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-17-8-10-18(11-9-17)22-12-14-23(15-13-22)26(24,25)20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine?
1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine has a molecular weight of 370.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-naphthalen-1-ylsulfonylpiperazine is sourced from PubChem (CID 1239306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).