(3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one

C24H19Cl2N3O4S — CID 11613246

IUPAC(3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one
SMILESO=C1NC=CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1CC(=O)N1Cc2cccc3cccc(c23)C1
InChIInChI=1S/C24H19Cl2N3O4S/c25-19-8-7-18(11-20(19)26)34(32,33)29-10-9-27-24(31)21(29)12-22(30)28-13-16-5-1-3-15-4-2-6-17(14-28)23(15)16/h1-11,21H,12-14H2,(H,27,31)/t21-/m1/s1
InChIKeyQRQJYSFCHWVWCM-OAQYLSRUSA-N
MW516.41 g/mol
LogP4.04
Rot. Bonds4

About (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one

(3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one (PubChem CID 11613246) has the molecular formula C24H19Cl2N3O4S and a molecular weight of 516.41 g/mol. Its IUPAC name is (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name(3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one
PubChem CID11613246
Molecular FormulaC24H19Cl2N3O4S
Molecular Weight516.41 g/mol
Exact Mass515.05
IUPAC Name(3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one
SMILESO=C1NC=CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1CC(=O)N1Cc2cccc3cccc(c23)C1
InChIInChI=1S/C24H19Cl2N3O4S/c25-19-8-7-18(11-20(19)26)34(32,33)29-10-9-27-24(31)21(29)12-22(30)28-13-16-5-1-3-15-4-2-6-17(14-28)23(15)16/h1-11,21H,12-14H2,(H,27,31)/t21-/m1/s1
InChIKeyQRQJYSFCHWVWCM-OAQYLSRUSA-N
XLogP4.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one 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 (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one?
The IUPAC name of (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one (CID 11613246) is (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one.
What is the SMILES notation for (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one?
The canonical SMILES for (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one is O=C1NC=CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1CC(=O)N1Cc2cccc3cccc(c23)C1.
What is the InChIKey of (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one?
The InChIKey is QRQJYSFCHWVWCM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19Cl2N3O4S/c25-19-8-7-18(11-20(19)26)34(32,33)29-10-9-27-24(31)21(29)12-22(30)28-13-16-5-1-3-15-4-2-6-17(14-28)23(15)16/h1-11,21H,12-14H2,(H,27,31)/t21-/m1/s1.
What are the key properties of (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one?
(3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one has a molecular weight of 516.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3,4-dichlorophenyl)sulfonyl-3-[2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-2-oxoethyl]-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 11613246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).