[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H18Cl2N2O3S — CID 58210701

IUPAC[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCc2ccccc2C1
InChIInChI=1S/C22H18Cl2N2O3S/c23-18-8-4-9-19(24)21(18)30(28,29)14-17-7-3-10-20(25-17)22(27)26-12-11-15-5-1-2-6-16(15)13-26/h1-10H,11-14H2
InChIKeyYOQSNDITRHTLEM-UHFFFAOYSA-N
MW461.37 g/mol
LogP4.56
Rot. Bonds4

About [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 58210701) has the molecular formula C22H18Cl2N2O3S and a molecular weight of 461.37 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID58210701
Molecular FormulaC22H18Cl2N2O3S
Molecular Weight461.37 g/mol
Exact Mass460.04
IUPAC Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCc2ccccc2C1
InChIInChI=1S/C22H18Cl2N2O3S/c23-18-8-4-9-19(24)21(18)30(28,29)14-17-7-3-10-20(25-17)22(27)26-12-11-15-5-1-2-6-16(15)13-26/h1-10H,11-14H2
InChIKeyYOQSNDITRHTLEM-UHFFFAOYSA-N
XLogP4.56
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone 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 [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 58210701) is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCc2ccccc2C1.
What is the InChIKey of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YOQSNDITRHTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3S/c23-18-8-4-9-19(24)21(18)30(28,29)14-17-7-3-10-20(25-17)22(27)26-12-11-15-5-1-2-6-16(15)13-26/h1-10H,11-14H2.
What are the key properties of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 461.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 58210701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).