3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide

C16H14F3NO3S — CID 4286052

IUPAC3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO3S/c17-16(18,19)12-5-4-6-13(11-12)20-15(21)9-10-24(22,23)14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyAWSAHNDAGGJGCX-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.51
Rot. Bonds5

About 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4286052) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID4286052
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO3S/c17-16(18,19)12-5-4-6-13(11-12)20-15(21)9-10-24(22,23)14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyAWSAHNDAGGJGCX-UHFFFAOYSA-N
XLogP3.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide 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

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529
3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110343225
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
CID 110425753
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181
CID 89006052
CID 89006052
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 4286052) is 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AWSAHNDAGGJGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c17-16(18,19)12-5-4-6-13(11-12)20-15(21)9-10-24(22,23)14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 357.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4286052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).