N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18FNO2S — CID 11551484

IUPACN-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCS(=O)(=O)c1ccc(F)cc1NC1CCCc2ccccc21
InChIInChI=1S/C17H18FNO2S/c1-22(20,21)17-10-9-13(18)11-16(17)19-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,19H,4,6,8H2,1H3
InChIKeyCCNIBVASDCOFKZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.72
Rot. Bonds3

About N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 11551484) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID11551484
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCS(=O)(=O)c1ccc(F)cc1NC1CCCc2ccccc21
InChIInChI=1S/C17H18FNO2S/c1-22(20,21)17-10-9-13(18)11-16(17)19-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,19H,4,6,8H2,1H3
InChIKeyCCNIBVASDCOFKZ-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 11551484) is N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CS(=O)(=O)c1ccc(F)cc1NC1CCCc2ccccc21.
What is the InChIKey of N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CCNIBVASDCOFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-22(20,21)17-10-9-13(18)11-16(17)19-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,19H,4,6,8H2,1H3.
What are the key properties of N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 319.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 11551484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).