2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline

C17H17Cl2NO2S — CID 8896966

IUPAC2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(CCN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2S/c18-15-5-6-16(19)17(11-15)23(21,22)10-9-20-8-7-13-3-1-2-4-14(13)12-20/h1-6,11H,7-10,12H2
InChIKeyYQUWTSIQMFKJDP-UHFFFAOYSA-N
MW370.30 g/mol
LogP3.83
Rot. Bonds4

About 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline

2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 8896966) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID8896966
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(CCN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2S/c18-15-5-6-16(19)17(11-15)23(21,22)10-9-20-8-7-13-3-1-2-4-14(13)12-20/h1-6,11H,7-10,12H2
InChIKeyYQUWTSIQMFKJDP-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline 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-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline (CID 8896966) is 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline is O=S(=O)(CCN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is YQUWTSIQMFKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c18-15-5-6-16(19)17(11-15)23(21,22)10-9-20-8-7-13-3-1-2-4-14(13)12-20/h1-6,11H,7-10,12H2.
What are the key properties of 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 370.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 8896966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).