4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide

C19H16N2O4S — CID 155294818

IUPAC4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-12-20-26(24,25)15-9-7-14(8-10-15)11-13-21-18(22)16-5-3-4-6-17(16)19(21)23/h1,3-10,20H,11-13H2
InChIKeyHMAYPYAQWFIYBE-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.44
Rot. Bonds6

About 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide

4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide (PubChem CID 155294818) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
PubChem CID155294818
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-12-20-26(24,25)15-9-7-14(8-10-15)11-13-21-18(22)16-5-3-4-6-17(16)19(21)23/h1,3-10,20H,11-13H2
InChIKeyHMAYPYAQWFIYBE-UHFFFAOYSA-N
XLogP1.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 65480400
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 108781652
2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione
CID 110632884
4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782846
methyl 4-cyano-5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-2-methylfuran-3-carboxylate
CID 108781667
ethyl 5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-1-methylpyrazole-4-carboxylate
CID 108782504
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
4-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-(4-ethylphenyl)benzenesulfonamide
CID 20914164
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400
2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
CID 15036635

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide (CID 155294818) is 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is HMAYPYAQWFIYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-2-12-20-26(24,25)15-9-7-14(8-10-15)11-13-21-18(22)16-5-3-4-6-17(16)19(21)23/h1,3-10,20H,11-13H2.
What are the key properties of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 155294818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).