N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

C15H17F3N2O3S — CID 156601673

IUPACN-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3S/c1-24(22,23)19-13-7-10-6-9(13)8-20(10)14(21)11-4-2-3-5-12(11)15(16,17)18/h2-5,9-10,13,19H,6-8H2,1H3
InChIKeyPTAZFIXZGARROR-UHFFFAOYSA-N
MW362.37 g/mol
LogP1.86
Rot. Bonds3

About N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (PubChem CID 156601673) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
PubChem CID156601673
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC NameN-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3S/c1-24(22,23)19-13-7-10-6-9(13)8-20(10)14(21)11-4-2-3-5-12(11)15(16,17)18/h2-5,9-10,13,19H,6-8H2,1H3
InChIKeyPTAZFIXZGARROR-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 156602194
N-[(1S,4S,5S)-2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 87052824
(2S,4R)-4-hydroxy-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 63856754
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678902
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide
CID 99778329
N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide
CID 156609929
[2-(trifluoromethyl)phenyl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26293300
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 26267145
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (CID 156601673) is N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1CN2C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The InChIKey is PTAZFIXZGARROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c1-24(22,23)19-13-7-10-6-9(13)8-20(10)14(21)11-4-2-3-5-12(11)15(16,17)18/h2-5,9-10,13,19H,6-8H2,1H3.
What are the key properties of N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide has a molecular weight of 362.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is sourced from PubChem (CID 156601673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).