N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C15H12F3NO3S — CID 3702971

IUPACN-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO3S/c1-10(20)11-4-2-6-13(8-11)19-23(21,22)14-7-3-5-12(9-14)15(16,17)18/h2-9,19H,1H3
InChIKeyAWFAXINTSLYNNK-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.71
Rot. Bonds4

About N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3702971) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3702971
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC NameN-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO3S/c1-10(20)11-4-2-6-13(8-11)19-23(21,22)14-7-3-5-12(9-14)15(16,17)18/h2-9,19H,1H3
InChIKeyAWFAXINTSLYNNK-UHFFFAOYSA-N
XLogP3.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Sulfabenzamide
CID 5319
N-(4-acetylphenyl)-4-methylbenzene-1-sulfonamide
CID 563797
N-(3-acetylphenyl)methanesulfonamide
CID 706824
N-(4-acetylphenyl)benzenesulfonamide
CID 682447
Diflumidone
CID 31501
4-acetyl-N-phenylbenzenesulfonamide
CID 7022526
Benzenesulfonamide, N-(4-acetylphenyl)-4-amino-
CID 221849
Diflumidone Sodium
CID 23663555
N-(4-acetylphenyl)-4-isobutylbenzenesulfonamide
CID 768834
N-(4-acetylphenyl)-3-methylbenzenesulfonamide
CID 889998
3-[(2,5-Dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 967593
N-hydroxy-3-(phenylsulfamoyl)benzamide
CID 11637884

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3702971) is N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AWFAXINTSLYNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-10(20)11-4-2-6-13(8-11)19-23(21,22)14-7-3-5-12(9-14)15(16,17)18/h2-9,19H,1H3.
What are the key properties of N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 343.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3702971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).