N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide

C11H15ClN2O4S2 — CID 63660470

IUPACN-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
SMILESCS(=O)(=O)CCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O4S2/c1-20(17,18)5-4-19(16)7-11(15)14-10-3-2-8(13)6-9(10)12/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyNFPFLCJQGQLVCU-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.65
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide

N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide (PubChem CID 63660470) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
PubChem CID63660470
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
SMILESCS(=O)(=O)CCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O4S2/c1-20(17,18)5-4-19(16)7-11(15)14-10-3-2-8(13)6-9(10)12/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyNFPFLCJQGQLVCU-UHFFFAOYSA-N
XLogP0.65
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
CID 107753561
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
CID 5102061
N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
CID 61303832
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide (CID 63660470) is N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide is CS(=O)(=O)CCS(=O)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide?
The InChIKey is NFPFLCJQGQLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c1-20(17,18)5-4-19(16)7-11(15)14-10-3-2-8(13)6-9(10)12/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide is sourced from PubChem (CID 63660470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).