N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide

C10H12Cl2N2O3S — CID 43382327

IUPACN-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H12Cl2N2O3S/c1-2-18(16,17)5-9(15)14-10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H,14,15)
InChIKeyUXZSVFBKPQUVBS-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.95
Rot. Bonds4

About N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide

N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide (PubChem CID 43382327) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
PubChem CID43382327
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H12Cl2N2O3S/c1-2-18(16,17)5-9(15)14-10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H,14,15)
InChIKeyUXZSVFBKPQUVBS-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
N-(4-amino-2,6-dichlorophenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107198287
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
CID 103283073
N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
CID 102980723

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide (CID 43382327) is N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide?
The InChIKey is UXZSVFBKPQUVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-2-18(16,17)5-9(15)14-10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H,14,15).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide?
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide has a molecular weight of 311.19 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide is sourced from PubChem (CID 43382327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).