N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide

C15H12F3NO4S — CID 71388182

IUPACN-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H12F3NO4S/c1-23-13-8-7-11(14(20)10-5-3-2-4-6-10)9-12(13)19-24(21,22)15(16,17)18/h2-9,19H,1H3
InChIKeyXWURDWGCAJDMTD-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.19
Rot. Bonds5

About N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide

N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 71388182) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID71388182
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC NameN-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H12F3NO4S/c1-23-13-8-7-11(14(20)10-5-3-2-4-6-10)9-12(13)19-24(21,22)15(16,17)18/h2-9,19H,1H3
InChIKeyXWURDWGCAJDMTD-UHFFFAOYSA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide (CID 71388182) is N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide is COc1ccc(C(=O)c2ccccc2)cc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is XWURDWGCAJDMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c1-23-13-8-7-11(14(20)10-5-3-2-4-6-10)9-12(13)19-24(21,22)15(16,17)18/h2-9,19H,1H3.
What are the key properties of N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide?
N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 359.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-2-methoxyphenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 71388182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).