2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide

C15H15ClN2O2S — CID 81176455

IUPAC2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H15ClN2O2S/c1-10-4-2-3-5-13(10)18-15(19)9-21(20)14-7-6-11(16)8-12(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyWZOKGTKDQPWKLT-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide

2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide (PubChem CID 81176455) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
PubChem CID81176455
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H15ClN2O2S/c1-10-4-2-3-5-13(10)18-15(19)9-21(20)14-7-6-11(16)8-12(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyWZOKGTKDQPWKLT-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.98
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

2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
2-(2-amino-3-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81188078
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81175808
2-(2-amino-4-chlorophenyl)sulfinylacetamide
CID 81176063
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide
CID 119045553

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide (CID 81176455) is 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CS(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide?
The InChIKey is WZOKGTKDQPWKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-4-2-3-5-13(10)18-15(19)9-21(20)14-7-6-11(16)8-12(14)17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide?
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide has a molecular weight of 322.82 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 81176455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).