3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide

C17H14N2O5S — CID 7189654

IUPAC3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C17H14N2O5S/c20-14(9-10-25(23,24)11-5-2-1-3-6-11)18-13-8-4-7-12-15(13)17(22)19-16(12)21/h1-8H,9-10H2,(H,18,20)(H,19,21,22)
InChIKeyAVYBGKWCWKWCSY-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.37
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide

3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide (PubChem CID 7189654) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide
PubChem CID7189654
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C17H14N2O5S/c20-14(9-10-25(23,24)11-5-2-1-3-6-11)18-13-8-4-7-12-15(13)17(22)19-16(12)21/h1-8H,9-10H2,(H,18,20)(H,19,21,22)
InChIKeyAVYBGKWCWKWCSY-UHFFFAOYSA-N
XLogP1.37
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide (CID 7189654) is 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide?
The InChIKey is AVYBGKWCWKWCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c20-14(9-10-25(23,24)11-5-2-1-3-6-11)18-13-8-4-7-12-15(13)17(22)19-16(12)21/h1-8H,9-10H2,(H,18,20)(H,19,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide?
3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide has a molecular weight of 358.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide is sourced from PubChem (CID 7189654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).