N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide

C11H15ClN2O4S — CID 43446244

IUPACN-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O4S/c1-18-4-5-19(16,17)7-11(15)14-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyUPWGXRRHFBVUGL-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.92
Rot. Bonds6

About N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide

N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide (PubChem CID 43446244) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
PubChem CID43446244
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O4S/c1-18-4-5-19(16,17)7-11(15)14-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyUPWGXRRHFBVUGL-UHFFFAOYSA-N
XLogP0.92
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)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-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
N-(3-amino-4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62984614
N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446239
N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446245
N-(3-amino-4-chlorophenyl)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63659554
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-aminophenyl)-2-propylsulfonylacetamide
CID 43444789

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide (CID 43446244) is N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide is COCCS(=O)(=O)CC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The InChIKey is UPWGXRRHFBVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-18-4-5-19(16,17)7-11(15)14-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide has a molecular weight of 306.77 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide is sourced from PubChem (CID 43446244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).