1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide

C17H20F3NO3S — CID 5268696

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1ccccc1C(F)(F)F)C(=O)C2
InChIInChI=1S/C17H20F3NO3S/c1-15(2)11-7-8-16(15,14(22)9-11)10-25(23,24)21-13-6-4-3-5-12(13)17(18,19)20/h3-6,11,21H,7-10H2,1-2H3
InChIKeyUSDIDGKHWXEIAJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.84
Rot. Bonds4

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 5268696) has the molecular formula C17H20F3NO3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID5268696
Molecular FormulaC17H20F3NO3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1ccccc1C(F)(F)F)C(=O)C2
InChIInChI=1S/C17H20F3NO3S/c1-15(2)11-7-8-16(15,14(22)9-11)10-25(23,24)21-13-6-4-3-5-12(13)17(18,19)20/h3-6,11,21H,7-10H2,1-2H3
InChIKeyUSDIDGKHWXEIAJ-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide (CID 5268696) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide is CC1(C)C2CCC1(CS(=O)(=O)Nc1ccccc1C(F)(F)F)C(=O)C2.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is USDIDGKHWXEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3S/c1-15(2)11-7-8-16(15,14(22)9-11)10-25(23,24)21-13-6-4-3-5-12(13)17(18,19)20/h3-6,11,21H,7-10H2,1-2H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 5268696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).