N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

C17H19Cl2N3O3S — CID 2973901

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-21(2)26(24,25)22(15-6-4-3-5-7-15)12-17(23)20-11-13-8-9-14(18)10-16(13)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyOYJMKMMFFBCWMK-UHFFFAOYSA-N
MW416.33 g/mol
LogP2.92
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 2973901) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID2973901
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-21(2)26(24,25)22(15-6-4-3-5-7-15)12-17(23)20-11-13-8-9-14(18)10-16(13)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyOYJMKMMFFBCWMK-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 2973901) is N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is OYJMKMMFFBCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-21(2)26(24,25)22(15-6-4-3-5-7-15)12-17(23)20-11-13-8-9-14(18)10-16(13)19/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 416.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 2973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).