N-diazo-2,3-dioxo-1H-indole-5-sulfonamide

C8H4N4O4S — CID 122707169

IUPACN-diazo-2,3-dioxo-1H-indole-5-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C8H4N4O4S/c9-11-12-17(15,16)4-1-2-6-5(3-4)7(13)8(14)10-6/h1-3H,(H,10,13,14)
InChIKeyUFFOBFHSZAIXMM-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.82
Rot. Bonds2

About N-diazo-2,3-dioxo-1H-indole-5-sulfonamide

N-diazo-2,3-dioxo-1H-indole-5-sulfonamide (PubChem CID 122707169) has the molecular formula C8H4N4O4S and a molecular weight of 252.21 g/mol. Its IUPAC name is N-diazo-2,3-dioxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-diazo-2,3-dioxo-1H-indole-5-sulfonamide
PubChem CID122707169
Molecular FormulaC8H4N4O4S
Molecular Weight252.21 g/mol
Exact Mass252.00
IUPAC NameN-diazo-2,3-dioxo-1H-indole-5-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C8H4N4O4S/c9-11-12-17(15,16)4-1-2-6-5(3-4)7(13)8(14)10-6/h1-3H,(H,10,13,14)
InChIKeyUFFOBFHSZAIXMM-UHFFFAOYSA-N
XLogP0.82
TPSA129.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazo-2,3-dioxo-1H-indole-5-sulfonamide?
The IUPAC name of N-diazo-2,3-dioxo-1H-indole-5-sulfonamide (CID 122707169) is N-diazo-2,3-dioxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-diazo-2,3-dioxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-diazo-2,3-dioxo-1H-indole-5-sulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2.
What is the InChIKey of N-diazo-2,3-dioxo-1H-indole-5-sulfonamide?
The InChIKey is UFFOBFHSZAIXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O4S/c9-11-12-17(15,16)4-1-2-6-5(3-4)7(13)8(14)10-6/h1-3H,(H,10,13,14).
What are the key properties of N-diazo-2,3-dioxo-1H-indole-5-sulfonamide?
N-diazo-2,3-dioxo-1H-indole-5-sulfonamide has a molecular weight of 252.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-2,3-dioxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 122707169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).