N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide

C17H16N2O4S — CID 797985

IUPACN-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-16-14-8-4-5-9-15(14)17(21)19(16)10-11-24(22,23)18-12-13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyQQLMZAWQZUDIII-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.40
Rot. Bonds6

About N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide

N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide (PubChem CID 797985) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
PubChem CID797985
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-16-14-8-4-5-9-15(14)17(21)19(16)10-11-24(22,23)18-12-13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyQQLMZAWQZUDIII-UHFFFAOYSA-N
XLogP1.40
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
The IUPAC name of N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide (CID 797985) is N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide.
What is the SMILES notation for N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
The canonical SMILES for N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
The InChIKey is QQLMZAWQZUDIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-16-14-8-4-5-9-15(14)17(21)19(16)10-11-24(22,23)18-12-13-6-2-1-3-7-13/h1-9,18H,10-12H2.
What are the key properties of N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide is sourced from PubChem (CID 797985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).