N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

C17H15Cl3N2O4S — CID 1249861

IUPACN-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C17H15Cl3N2O4S/c1-10(23)11-4-3-5-12(6-11)21-17(24)9-22(27(2,25)26)16-8-14(19)13(18)7-15(16)20/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyHZUYXLMYIZLXQZ-UHFFFAOYSA-N
MW449.74 g/mol
LogP4.25
Rot. Bonds6

About N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (PubChem CID 1249861) has the molecular formula C17H15Cl3N2O4S and a molecular weight of 449.74 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
PubChem CID1249861
Molecular FormulaC17H15Cl3N2O4S
Molecular Weight449.74 g/mol
Exact Mass447.98
IUPAC NameN-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C17H15Cl3N2O4S/c1-10(23)11-4-3-5-12(6-11)21-17(24)9-22(27(2,25)26)16-8-14(19)13(18)7-15(16)20/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyHZUYXLMYIZLXQZ-UHFFFAOYSA-N
XLogP4.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.74
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide 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-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1322792
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147787
N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
CID 113157216

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CID 1249861) is N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is CC(=O)c1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is HZUYXLMYIZLXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O4S/c1-10(23)11-4-3-5-12(6-11)21-17(24)9-22(27(2,25)26)16-8-14(19)13(18)7-15(16)20/h3-8H,9H2,1-2H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 449.74 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1249861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).