1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide

C20H16N4O3S — CID 71585328

IUPAC1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCOc1ccccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12
InChIInChI=1S/C20H16N4O3S/c1-27-18-5-3-2-4-17(18)20-16-7-6-15(12-14(16)8-11-22-20)28(25,26)24-19-9-10-21-13-23-19/h2-13H,1H3,(H,21,23,24)
InChIKeyRMULINQQMYGBPT-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide

1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (PubChem CID 71585328) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
PubChem CID71585328
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCOc1ccccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12
InChIInChI=1S/C20H16N4O3S/c1-27-18-5-3-2-4-17(18)20-16-7-6-15(12-14(16)8-11-22-20)28(25,26)24-19-9-10-21-13-23-19/h2-13H,1H3,(H,21,23,24)
InChIKeyRMULINQQMYGBPT-UHFFFAOYSA-N
XLogP3.50
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide 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 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (CID 71585328) is 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is COc1ccccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The InChIKey is RMULINQQMYGBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-27-18-5-3-2-4-17(18)20-16-7-6-15(12-14(16)8-11-22-20)28(25,26)24-19-9-10-21-13-23-19/h2-13H,1H3,(H,21,23,24).
What are the key properties of 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is sourced from PubChem (CID 71585328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).