2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide

C12H16Cl2N2O4S — CID 138857439

IUPAC2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCOCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyADUIOJAMEFYIGZ-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.78
Rot. Bonds7

About 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide

2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide (PubChem CID 138857439) has the molecular formula C12H16Cl2N2O4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide
PubChem CID138857439
Molecular FormulaC12H16Cl2N2O4S
Molecular Weight355.24 g/mol
Exact Mass354.02
IUPAC Name2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCOCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyADUIOJAMEFYIGZ-UHFFFAOYSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]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

2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 3860347
2-chloro-N-[4-chloro-3-(morpholine-4-sulfonyl)phenyl]acetamide
CID 3816252
2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 138857440
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] propanoate
CID 5223314
N-[5-(azepane-1-sulfonyl)-2-chlorophenyl]-2-chloroacetamide
CID 3688338
1-[4-Chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea
CID 5128497
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 9113985
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170450
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24979207
2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 155512763
2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide
CID 155514182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide (CID 138857439) is 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide is COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ADUIOJAMEFYIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide?
2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide has a molecular weight of 355.24 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 138857439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).