2-N-diazo-1-N-methylbenzene-1,2-disulfonamide

C7H8N4O4S2 — CID 21284140

IUPAC2-N-diazo-1-N-methylbenzene-1,2-disulfonamide
SMILESCNS(=O)(=O)c1ccccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H8N4O4S2/c1-9-16(12,13)6-4-2-3-5-7(6)17(14,15)11-10-8/h2-5,9H,1H3
InChIKeyPQBAKDGMWWEAHA-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.59
Rot. Bonds4

About 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide

2-N-diazo-1-N-methylbenzene-1,2-disulfonamide (PubChem CID 21284140) has the molecular formula C7H8N4O4S2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide.

Molecular Properties

Compound Name2-N-diazo-1-N-methylbenzene-1,2-disulfonamide
PubChem CID21284140
Molecular FormulaC7H8N4O4S2
Molecular Weight276.30 g/mol
Exact Mass276.00
IUPAC Name2-N-diazo-1-N-methylbenzene-1,2-disulfonamide
SMILESCNS(=O)(=O)c1ccccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H8N4O4S2/c1-9-16(12,13)6-4-2-3-5-7(6)17(14,15)11-10-8/h2-5,9H,1H3
InChIKeyPQBAKDGMWWEAHA-UHFFFAOYSA-N
XLogP0.59
TPSA129.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.59
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidosulfonylphenyl)acetamide
CID 87142558
2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
CID 19882754
2-azido-N-diazobenzenesulfonamide
CID 57280224
methyl 2-azidosulfonylbenzoate
CID 25128429
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
2-bromo-N-methylbenzenesulfonamide
CID 850141
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
N-diazo-4-methyl-2-sulfanylbenzenesulfonamide
CID 22764447
2-(methoxyamino)-N-methylbenzenesulfonamide
CID 23002402
N-diazo-4-methylbenzenesulfonamide
CID 13661
N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide
CID 18667836

Frequently Asked Questions

What is the IUPAC name of 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide?
The IUPAC name of 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide (CID 21284140) is 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide.
What is the SMILES notation for 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide?
The canonical SMILES for 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide is CNS(=O)(=O)c1ccccc1S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide?
The InChIKey is PQBAKDGMWWEAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4S2/c1-9-16(12,13)6-4-2-3-5-7(6)17(14,15)11-10-8/h2-5,9H,1H3.
What are the key properties of 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide?
2-N-diazo-1-N-methylbenzene-1,2-disulfonamide has a molecular weight of 276.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-diazo-1-N-methylbenzene-1,2-disulfonamide is sourced from PubChem (CID 21284140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).