5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C13H14F3NO3S — CID 166842526

IUPAC5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1cccc2c1CCCC2C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO3S/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(18)17-21(19,20)13(14,15)16/h2,4,6,11H,3,5,7H2,1H3,(H,17,18)
InChIKeyBAOVYICXIZFQLJ-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.38
Rot. Bonds2

About 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 166842526) has the molecular formula C13H14F3NO3S and a molecular weight of 321.32 g/mol. Its IUPAC name is 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID166842526
Molecular FormulaC13H14F3NO3S
Molecular Weight321.32 g/mol
Exact Mass321.06
IUPAC Name5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1cccc2c1CCCC2C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO3S/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(18)17-21(19,20)13(14,15)16/h2,4,6,11H,3,5,7H2,1H3,(H,17,18)
InChIKeyBAOVYICXIZFQLJ-UHFFFAOYSA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 166842526) is 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1cccc2c1CCCC2C(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is BAOVYICXIZFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3S/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(18)17-21(19,20)13(14,15)16/h2,4,6,11H,3,5,7H2,1H3,(H,17,18).
What are the key properties of 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 166842526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).