2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide

C15H13F3N2O3S — CID 113153696

IUPAC2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H13F3N2O3S/c1-24(22,23)20(10-5-3-2-4-6-10)9-13(21)19-12-8-7-11(16)14(17)15(12)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyGUDMFNVRDYHDMW-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.51
Rot. Bonds5

About 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113153696) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113153696
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H13F3N2O3S/c1-24(22,23)20(10-5-3-2-4-6-10)9-13(21)19-12-8-7-11(16)14(17)15(12)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyGUDMFNVRDYHDMW-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153986
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157523
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113146018
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150231

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 113153696) is 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is GUDMFNVRDYHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-24(22,23)20(10-5-3-2-4-6-10)9-13(21)19-12-8-7-11(16)14(17)15(12)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 358.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113153696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).