N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide

C9H12N4O4S — CID 88712729

IUPACN-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)CCCCCC1=CC(=O)NC1=O
InChIInChI=1S/C9H12N4O4S/c10-12-13-18(16,17)5-3-1-2-4-7-6-8(14)11-9(7)15/h6H,1-5H2,(H,11,14,15)
InChIKeyYDUXQZBFKVILGT-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.77
Rot. Bonds7

About N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide

N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide (PubChem CID 88712729) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide
PubChem CID88712729
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC NameN-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)CCCCCC1=CC(=O)NC1=O
InChIInChI=1S/C9H12N4O4S/c10-12-13-18(16,17)5-3-1-2-4-7-6-8(14)11-9(7)15/h6H,1-5H2,(H,11,14,15)
InChIKeyYDUXQZBFKVILGT-UHFFFAOYSA-N
XLogP0.77
TPSA129.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide?
The IUPAC name of N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide (CID 88712729) is N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide?
The canonical SMILES for N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide is [N-]=[N+]=NS(=O)(=O)CCCCCC1=CC(=O)NC1=O.
What is the InChIKey of N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide?
The InChIKey is YDUXQZBFKVILGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c10-12-13-18(16,17)5-3-1-2-4-7-6-8(14)11-9(7)15/h6H,1-5H2,(H,11,14,15).
What are the key properties of N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide?
N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide is sourced from PubChem (CID 88712729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).