2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide

C9H11ClN2O2S — CID 81180842

IUPAC2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2O2S/c1-12-9(13)5-15(14)8-4-6(10)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyHFIVPLXGNPOLIA-UHFFFAOYSA-N
MW246.72 g/mol
LogP0.78
Rot. Bonds3

About 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide

2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide (PubChem CID 81180842) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
PubChem CID81180842
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2O2S/c1-12-9(13)5-15(14)8-4-6(10)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyHFIVPLXGNPOLIA-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide 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-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
4-chloro-2-propylsulfinylaniline
CID 81180931
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81175808
2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone
CID 81181296
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide
CID 81175290
4-chloro-2-(2-methoxyethylsulfinyl)aniline
CID 81180933
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
2-(2-amino-4-chlorophenyl)sulfinylacetamide
CID 81176063
4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81179968
2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81180680
2-(2-amino-5-fluorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81192638

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide (CID 81180842) is 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide is CNC(=O)CS(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide?
The InChIKey is HFIVPLXGNPOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-12-9(13)5-15(14)8-4-6(10)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide?
2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide has a molecular weight of 246.72 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide is sourced from PubChem (CID 81180842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).