2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

C17H17Cl3N2O3S2 — CID 43000871

IUPAC2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(CSCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl3N2O3S2/c1-22(2)27(24,25)12-5-3-4-11(6-12)9-26-10-17(23)21-16-8-14(19)13(18)7-15(16)20/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyXBRJIELSYYIPKY-UHFFFAOYSA-N
MW467.83 g/mol
LogP4.77
Rot. Bonds7

About 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 43000871) has the molecular formula C17H17Cl3N2O3S2 and a molecular weight of 467.83 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID43000871
Molecular FormulaC17H17Cl3N2O3S2
Molecular Weight467.83 g/mol
Exact Mass465.97
IUPAC Name2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(CSCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl3N2O3S2/c1-22(2)27(24,25)12-5-3-4-11(6-12)9-26-10-17(23)21-16-8-14(19)13(18)7-15(16)20/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyXBRJIELSYYIPKY-UHFFFAOYSA-N
XLogP4.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)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-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
CID 43000872
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
N-(2-chlorophenyl)-2-[4-[[3-(dimethylsulfamoyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 29162437
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309878
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 51278824
2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757
N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
CID 17312378
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 46634049
3-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654520

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (CID 43000871) is 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is CN(C)S(=O)(=O)c1cccc(CSCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is XBRJIELSYYIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S2/c1-22(2)27(24,25)12-5-3-4-11(6-12)9-26-10-17(23)21-16-8-14(19)13(18)7-15(16)20/h3-8H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 467.83 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 43000871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).