N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide

C15H15F3N2O3S — CID 52552426

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H15F3N2O3S/c1-20(11-9-12-6-4-5-10-19-12)24(21,22)14-8-3-2-7-13(14)23-15(16,17)18/h2-8,10H,9,11H2,1H3
InChIKeyOAFYXGXHCPGGBW-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.84
Rot. Bonds6

About N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide

N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 52552426) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID52552426
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H15F3N2O3S/c1-20(11-9-12-6-4-5-10-19-12)24(21,22)14-8-3-2-7-13(14)23-15(16,17)18/h2-8,10H,9,11H2,1H3
InChIKeyOAFYXGXHCPGGBW-UHFFFAOYSA-N
XLogP2.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
N-[(3R)-3-hydroxybutyl]-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 97019594
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 52746563
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
CID 91650887
N-methyl-2-[[N'-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 111847873
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 52552426) is N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OAFYXGXHCPGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-20(11-9-12-6-4-5-10-19-12)24(21,22)14-8-3-2-7-13(14)23-15(16,17)18/h2-8,10H,9,11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 360.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 52552426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).