4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide

C15H14N2O4S — CID 4034192

IUPAC4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1
InChIInChI=1S/C15H14N2O4S/c16-22(20,21)11-5-3-10(4-6-11)17-14(18)12-8-1-2-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2,(H2,16,20,21)
InChIKeyMIGOWOJRJPSPJV-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.65
Rot. Bonds2

About 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide

4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide (PubChem CID 4034192) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide
PubChem CID4034192
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1
InChIInChI=1S/C15H14N2O4S/c16-22(20,21)11-5-3-10(4-6-11)17-14(18)12-8-1-2-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2,(H2,16,20,21)
InChIKeyMIGOWOJRJPSPJV-UHFFFAOYSA-N
XLogP0.65
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide (CID 4034192) is 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1.
What is the InChIKey of 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide?
The InChIKey is MIGOWOJRJPSPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c16-22(20,21)11-5-3-10(4-6-11)17-14(18)12-8-1-2-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2,(H2,16,20,21).
What are the key properties of 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide?
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzenesulfonamide is sourced from PubChem (CID 4034192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).