N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide

C23H18F5NO3S — CID 165012145

IUPACN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(CCc2ccccc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C23H18F5NO3S/c1-14(30)16-8-6-15(7-9-16)13-29(11-10-17-4-2-3-5-18(17)24)33(31,32)20-12-19(25)21(26)23(28)22(20)27/h2-9,12H,10-11,13H2,1H3
InChIKeyPQFJTMHFNYILER-UHFFFAOYSA-N
MW483.46 g/mol
LogP5.02
Rot. Bonds8

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

N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 165012145) has the molecular formula C23H18F5NO3S and a molecular weight of 483.46 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID165012145
Molecular FormulaC23H18F5NO3S
Molecular Weight483.46 g/mol
Exact Mass483.09
IUPAC NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(CCc2ccccc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C23H18F5NO3S/c1-14(30)16-8-6-15(7-9-16)13-29(11-10-17-4-2-3-5-18(17)24)33(31,32)20-12-19(25)21(26)23(28)22(20)27/h2-9,12H,10-11,13H2,1H3
InChIKeyPQFJTMHFNYILER-UHFFFAOYSA-N
XLogP5.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.46
LogP ≤ 55.02
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-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]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-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 165012145) is N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is CC(=O)c1ccc(CN(CCc2ccccc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is PQFJTMHFNYILER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5NO3S/c1-14(30)16-8-6-15(7-9-16)13-29(11-10-17-4-2-3-5-18(17)24)33(31,32)20-12-19(25)21(26)23(28)22(20)27/h2-9,12H,10-11,13H2,1H3.
What are the key properties of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 483.46 g/mol, XLogP of 5.02, 8 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-tetrafluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 165012145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).