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

C11H15ClN2O2S — CID 81207763

IUPAC2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-3-14(2)11(15)7-17(16)10-6-8(13)4-5-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKeyYFUQMWWLEPCRSQ-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.51
Rot. Bonds4

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

2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide (PubChem CID 81207763) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide
PubChem CID81207763
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-3-14(2)11(15)7-17(16)10-6-8(13)4-5-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKeyYFUQMWWLEPCRSQ-UHFFFAOYSA-N
XLogP1.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81192294
2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
CID 81201988
2-(3-amino-2-methylphenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81190292
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81201983
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81202421
4-chloro-3-(2-propoxyethylsulfinyl)aniline
CID 106460067
4-chloro-3-pentan-3-ylsulfinylaniline
CID 81206698
4-chloro-3-[(2,4,6-trimethylphenyl)methylsulfinyl]aniline
CID 81201855

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide (CID 81207763) is 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide is CCN(C)C(=O)CS(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
The InChIKey is YFUQMWWLEPCRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-3-14(2)11(15)7-17(16)10-6-8(13)4-5-9(10)12/h4-6H,3,7,13H2,1-2H3.
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide has a molecular weight of 274.77 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81207763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).