N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C22H15F6NO3S — CID 164974045

IUPACN-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H15F6NO3S/c1-12(30)15-6-2-13(3-7-15)10-29(11-14-4-8-16(23)9-5-14)33(31,32)22-20(27)18(25)17(24)19(26)21(22)28/h2-9H,10-11H2,1H3
InChIKeyJSNJATLERVKFAE-UHFFFAOYSA-N
MW487.42 g/mol
LogP5.11
Rot. Bonds7

About N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 164974045) has the molecular formula C22H15F6NO3S and a molecular weight of 487.42 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID164974045
Molecular FormulaC22H15F6NO3S
Molecular Weight487.42 g/mol
Exact Mass487.07
IUPAC NameN-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H15F6NO3S/c1-12(30)15-6-2-13(3-7-15)10-29(11-14-4-8-16(23)9-5-14)33(31,32)22-20(27)18(25)17(24)19(26)21(22)28/h2-9H,10-11H2,1H3
InChIKeyJSNJATLERVKFAE-UHFFFAOYSA-N
XLogP5.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 164974045) is N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is JSNJATLERVKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO3S/c1-12(30)15-6-2-13(3-7-15)10-29(11-14-4-8-16(23)9-5-14)33(31,32)22-20(27)18(25)17(24)19(26)21(22)28/h2-9H,10-11H2,1H3.
What are the key properties of N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 487.42 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 164974045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).