2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

C16H16ClNO2S — CID 79436125

IUPAC2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNCC(c1ccccc1Cl)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H16ClNO2S/c17-15-7-3-1-5-11(15)13(9-18)14-10-21(19,20)16-8-4-2-6-12(14)16/h1-8,13-14H,9-10,18H2
InChIKeyOJBDCORWFZQEQY-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 79436125) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID79436125
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNCC(c1ccccc1Cl)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H16ClNO2S/c17-15-7-3-1-5-11(15)13(9-18)14-10-21(19,20)16-8-4-2-6-12(14)16/h1-8,13-14H,9-10,18H2
InChIKeyOJBDCORWFZQEQY-UHFFFAOYSA-N
XLogP2.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine 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-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 79436125) is 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is NCC(c1ccccc1Cl)C1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is OJBDCORWFZQEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-15-7-3-1-5-11(15)13(9-18)14-10-21(19,20)16-8-4-2-6-12(14)16/h1-8,13-14H,9-10,18H2.
What are the key properties of 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 321.83 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 79436125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).