N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

C15H12Cl4N2O3S — CID 3272456

IUPACN-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl4N2O3S/c1-25(23,24)21(14-7-12(18)11(17)6-13(14)19)8-15(22)20-10-4-2-9(16)3-5-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyPVGOWUUIMLJVKA-UHFFFAOYSA-N
MW442.15 g/mol
LogP4.70
Rot. Bonds5

About N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (PubChem CID 3272456) has the molecular formula C15H12Cl4N2O3S and a molecular weight of 442.15 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
PubChem CID3272456
Molecular FormulaC15H12Cl4N2O3S
Molecular Weight442.15 g/mol
Exact Mass439.93
IUPAC NameN-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl4N2O3S/c1-25(23,24)21(14-7-12(18)11(17)6-13(14)19)8-15(22)20-10-4-2-9(16)3-5-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyPVGOWUUIMLJVKA-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.15
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
N-(4-piperidin-1-ylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 100511260
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 113156893
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126413055
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CID 3272456) is N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is PVGOWUUIMLJVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4N2O3S/c1-25(23,24)21(14-7-12(18)11(17)6-13(14)19)8-15(22)20-10-4-2-9(16)3-5-10/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 442.15 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3272456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).