3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide

C30H23N3O5S2 — CID 58565464

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
InChIInChI=1S/C30H23N3O5S2/c34-28-21-11-2-1-10-20(21)24(18-26(28)39-25-14-5-8-19-9-6-15-31-27(19)25)32-40(37,38)17-7-16-33-29(35)22-12-3-4-13-23(22)30(33)36/h1-6,8-15,18,32,34H,7,16-17H2
InChIKeyRGSJXLRQWUBJIT-UHFFFAOYSA-N
MW569.66 g/mol
LogP5.67
Rot. Bonds8

About 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide

3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide (PubChem CID 58565464) has the molecular formula C30H23N3O5S2 and a molecular weight of 569.66 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide
PubChem CID58565464
Molecular FormulaC30H23N3O5S2
Molecular Weight569.66 g/mol
Exact Mass569.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
InChIInChI=1S/C30H23N3O5S2/c34-28-21-11-2-1-10-20(21)24(18-26(28)39-25-14-5-8-19-9-6-15-31-27(19)25)32-40(37,38)17-7-16-33-29(35)22-12-3-4-13-23(22)30(33)36/h1-6,8-15,18,32,34H,7,16-17H2
InChIKeyRGSJXLRQWUBJIT-UHFFFAOYSA-N
XLogP5.67
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.66
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-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 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide (CID 58565464) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide is O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide?
The InChIKey is RGSJXLRQWUBJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O5S2/c34-28-21-11-2-1-10-20(21)24(18-26(28)39-25-14-5-8-19-9-6-15-31-27(19)25)32-40(37,38)17-7-16-33-29(35)22-12-3-4-13-23(22)30(33)36/h1-6,8-15,18,32,34H,7,16-17H2.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide has a molecular weight of 569.66 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 58565464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).