N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide

C9H11ClN2O2S — CID 61287457

IUPACN-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C9H11ClN2O2S/c1-15(14)5-9(13)12-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyLILRXXMIDRFRHQ-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.24
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide

N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide (PubChem CID 61287457) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
PubChem CID61287457
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC NameN-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C9H11ClN2O2S/c1-15(14)5-9(13)12-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyLILRXXMIDRFRHQ-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 63660470
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)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
CID 61303832
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide (CID 61287457) is N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide is CS(=O)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide?
The InChIKey is LILRXXMIDRFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-15(14)5-9(13)12-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide?
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide has a molecular weight of 246.72 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide is sourced from PubChem (CID 61287457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).