2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride

C9H12ClNO3S — CID 2763581

IUPAC2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C9H11NO3S.ClH/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10;/h2-5H,6,10H2,1H3;1H
InChIKeyJQZLJYCNKBOYGK-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.65
Rot. Bonds3

About 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride

2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride (PubChem CID 2763581) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride
PubChem CID2763581
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C9H11NO3S.ClH/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10;/h2-5H,6,10H2,1H3;1H
InChIKeyJQZLJYCNKBOYGK-UHFFFAOYSA-N
XLogP0.65
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride (CID 2763581) is 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride is CS(=O)(=O)c1ccc(C(=O)CN)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride?
The InChIKey is JQZLJYCNKBOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S.ClH/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10;/h2-5H,6,10H2,1H3;1H.
What are the key properties of 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride?
2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride has a molecular weight of 249.72 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 2763581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).