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

C18H20FNO2S — CID 11609675

IUPAC2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
SMILESNCCC1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C18H20FNO2S/c19-17-6-1-2-7-18(17)23(21,22)15-8-9-16-13(10-11-20)4-3-5-14(16)12-15/h1-2,6-9,12-13H,3-5,10-11,20H2
InChIKeyCLQOXVAQDAZCNX-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.43
Rot. Bonds4

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

2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine (PubChem CID 11609675) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
PubChem CID11609675
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
SMILESNCCC1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C18H20FNO2S/c19-17-6-1-2-7-18(17)23(21,22)15-8-9-16-13(10-11-20)4-3-5-14(16)12-15/h1-2,6-9,12-13H,3-5,10-11,20H2
InChIKeyCLQOXVAQDAZCNX-UHFFFAOYSA-N
XLogP3.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine?
The IUPAC name of 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine (CID 11609675) is 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine is NCCC1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21.
What is the InChIKey of 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine?
The InChIKey is CLQOXVAQDAZCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c19-17-6-1-2-7-18(17)23(21,22)15-8-9-16-13(10-11-20)4-3-5-14(16)12-15/h1-2,6-9,12-13H,3-5,10-11,20H2.
What are the key properties of 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine?
2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine has a molecular weight of 333.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine is sourced from PubChem (CID 11609675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).