N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C15H19F3N2O2S — CID 2802670

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCN1C2CCC1CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H19F3N2O2S/c1-20-12-5-6-13(20)9-11(8-12)19-23(21,22)14-4-2-3-10(7-14)15(16,17)18/h2-4,7,11-13,19H,5-6,8-9H2,1H3
InChIKeyWRRSTKHOYMZWPU-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.61
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2802670) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2802670
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCN1C2CCC1CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H19F3N2O2S/c1-20-12-5-6-13(20)9-11(8-12)19-23(21,22)14-4-2-3-10(7-14)15(16,17)18/h2-4,7,11-13,19H,5-6,8-9H2,1H3
InChIKeyWRRSTKHOYMZWPU-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 2802670) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide is CN1C2CCC1CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WRRSTKHOYMZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c1-20-12-5-6-13(20)9-11(8-12)19-23(21,22)14-4-2-3-10(7-14)15(16,17)18/h2-4,7,11-13,19H,5-6,8-9H2,1H3.
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 348.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2802670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).