N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide

C20H16N2O4S — CID 113083500

IUPACN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide
SMILESO=C1c2cc3ccccc3cc2C(=O)N1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16N2O4S/c23-19-17-12-14-6-4-5-7-15(14)13-18(17)20(24)22(19)11-10-21-27(25,26)16-8-2-1-3-9-16/h1-9,12-13,21H,10-11H2
InChIKeyWLDRKRIEZJGPLJ-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide

N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide (PubChem CID 113083500) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide
PubChem CID113083500
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide
SMILESO=C1c2cc3ccccc3cc2C(=O)N1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16N2O4S/c23-19-17-12-14-6-4-5-7-15(14)13-18(17)20(24)22(19)11-10-21-27(25,26)16-8-2-1-3-9-16/h1-9,12-13,21H,10-11H2
InChIKeyWLDRKRIEZJGPLJ-UHFFFAOYSA-N
XLogP2.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 113082483
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 113082397
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide
CID 113083442
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 108780319
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 160855832
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 113082486
2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)ethyl trifluoromethanesulfonate
CID 14963590

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide (CID 113083500) is N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide is O=C1c2cc3ccccc3cc2C(=O)N1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WLDRKRIEZJGPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-19-17-12-14-6-4-5-7-15(14)13-18(17)20(24)22(19)11-10-21-27(25,26)16-8-2-1-3-9-16/h1-9,12-13,21H,10-11H2.
What are the key properties of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide?
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113083500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).