N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide

C18H14N2O4S2 — CID 113082486

IUPACN-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C18H14N2O4S2/c21-17-13-6-1-4-12-5-2-7-14(16(12)13)18(22)20(17)10-9-19-26(23,24)15-8-3-11-25-15/h1-8,11,19H,9-10H2
InChIKeyYAHLBHFUMWPIQW-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide

N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 113082486) has the molecular formula C18H14N2O4S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID113082486
Molecular FormulaC18H14N2O4S2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC NameN-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C18H14N2O4S2/c21-17-13-6-1-4-12-5-2-7-14(16(12)13)18(22)20(17)10-9-19-26(23,24)15-8-3-11-25-15/h1-8,11,19H,9-10H2
InChIKeyYAHLBHFUMWPIQW-UHFFFAOYSA-N
XLogP2.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide
CID 113082410
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 113082483
2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione
CID 2870411
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-sulfonamide
CID 121022629
N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730098
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
2-[2-(propylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 53348110
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)thiophene-2-sulfonamide
CID 44788432
N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 22208778

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide (CID 113082486) is N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide is O=C1c2cccc3cccc(c23)C(=O)N1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YAHLBHFUMWPIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S2/c21-17-13-6-1-4-12-5-2-7-14(16(12)13)18(22)20(17)10-9-19-26(23,24)15-8-3-11-25-15/h1-8,11,19H,9-10H2.
What are the key properties of N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 386.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113082486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).