N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide

C15H12F3NO4S — CID 31688238

IUPACN-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO4S/c1-10(20)11-4-2-5-12(8-11)19-24(21,22)14-7-3-6-13(9-14)23-15(16,17)18/h2-9,19H,1H3
InChIKeyPWRBRSASCFXQSJ-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.59
Rot. Bonds5

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

N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 31688238) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID31688238
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC NameN-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO4S/c1-10(20)11-4-2-5-12(8-11)19-24(21,22)14-7-3-6-13(9-14)23-15(16,17)18/h2-9,19H,1H3
InChIKeyPWRBRSASCFXQSJ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-3-(trifluoromethoxy)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

2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 69354989
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-acetyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 34112734
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 31688238) is N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PWRBRSASCFXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c1-10(20)11-4-2-5-12(8-11)19-24(21,22)14-7-3-6-13(9-14)23-15(16,17)18/h2-9,19H,1H3.
What are the key properties of N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 359.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 31688238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).