2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

C15H12ClF3N2O3S — CID 7937851

IUPAC2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O3S/c1-21(25(23,24)12-5-3-2-4-9(12)16)8-13(22)20-11-7-6-10(17)14(18)15(11)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyIJLFJYNYMVIQQH-UHFFFAOYSA-N
MW392.79 g/mol
LogP3.02
Rot. Bonds5

About 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 7937851) has the molecular formula C15H12ClF3N2O3S and a molecular weight of 392.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID7937851
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.79 g/mol
Exact Mass392.02
IUPAC Name2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O3S/c1-21(25(23,24)12-5-3-2-4-9(12)16)8-13(22)20-11-7-6-10(17)14(18)15(11)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyIJLFJYNYMVIQQH-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 53.02
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-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 39632702
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544429
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110335743
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832
2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 55437591
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 7937851) is 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is IJLFJYNYMVIQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S/c1-21(25(23,24)12-5-3-2-4-9(12)16)8-13(22)20-11-7-6-10(17)14(18)15(11)19/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 392.79 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 7937851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).