1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine

C20H21FN2O2S — CID 39911950

IUPAC1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2S/c21-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)20-10-5-16-3-1-2-4-17(16)15-20/h1-4,6-9,15H,5,10-14H2
InChIKeyMBCBHYAODWIGBS-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine (PubChem CID 39911950) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
PubChem CID39911950
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2S/c21-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)20-10-5-16-3-1-2-4-17(16)15-20/h1-4,6-9,15H,5,10-14H2
InChIKeyMBCBHYAODWIGBS-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine (CID 39911950) is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine is O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
The InChIKey is MBCBHYAODWIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c21-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)20-10-5-16-3-1-2-4-17(16)15-20/h1-4,6-9,15H,5,10-14H2.
What are the key properties of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine has a molecular weight of 372.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 39911950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).