N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

C15H12ClF3N2O3S — CID 113157541

IUPACN-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3N2O3S/c1-25(23,24)21(12-6-5-11(17)14(18)15(12)19)8-13(22)20-10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyPPPXOFAHMHAWAP-UHFFFAOYSA-N
MW392.79 g/mol
LogP3.16
Rot. Bonds5

About N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113157541) has the molecular formula C15H12ClF3N2O3S and a molecular weight of 392.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
PubChem CID113157541
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.79 g/mol
Exact Mass392.02
IUPAC NameN-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3N2O3S/c1-25(23,24)21(12-6-5-11(17)14(18)15(12)19)8-13(22)20-10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyPPPXOFAHMHAWAP-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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

N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157532
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1315120
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
CID 113157216
N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157523
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126031230
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 17408314

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (CID 113157541) is N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is PPPXOFAHMHAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S/c1-25(23,24)21(12-6-5-11(17)14(18)15(12)19)8-13(22)20-10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 392.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).