2,6-dibromo-N-diazobenzenesulfonamide

C6H3Br2N3O2S — CID 53381084

IUPAC2,6-dibromo-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1c(Br)cccc1Br
InChIInChI=1S/C6H3Br2N3O2S/c7-4-2-1-3-5(8)6(4)14(12,13)11-10-9/h1-3H
InChIKeyGFYBFRDMKRLRHO-UHFFFAOYSA-N
MW340.98 g/mol
LogP3.21
Rot. Bonds2

About 2,6-dibromo-N-diazobenzenesulfonamide

2,6-dibromo-N-diazobenzenesulfonamide (PubChem CID 53381084) has the molecular formula C6H3Br2N3O2S and a molecular weight of 340.98 g/mol. Its IUPAC name is 2,6-dibromo-N-diazobenzenesulfonamide.

Molecular Properties

Compound Name2,6-dibromo-N-diazobenzenesulfonamide
PubChem CID53381084
Molecular FormulaC6H3Br2N3O2S
Molecular Weight340.98 g/mol
Exact Mass338.83
IUPAC Name2,6-dibromo-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1c(Br)cccc1Br
InChIInChI=1S/C6H3Br2N3O2S/c7-4-2-1-3-5(8)6(4)14(12,13)11-10-9/h1-3H
InChIKeyGFYBFRDMKRLRHO-UHFFFAOYSA-N
XLogP3.21
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.98
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-diazobenzenesulfonamide?
The IUPAC name of 2,6-dibromo-N-diazobenzenesulfonamide (CID 53381084) is 2,6-dibromo-N-diazobenzenesulfonamide.
What is the SMILES notation for 2,6-dibromo-N-diazobenzenesulfonamide?
The canonical SMILES for 2,6-dibromo-N-diazobenzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-diazobenzenesulfonamide?
The InChIKey is GFYBFRDMKRLRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N3O2S/c7-4-2-1-3-5(8)6(4)14(12,13)11-10-9/h1-3H.
What are the key properties of 2,6-dibromo-N-diazobenzenesulfonamide?
2,6-dibromo-N-diazobenzenesulfonamide has a molecular weight of 340.98 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-diazobenzenesulfonamide is sourced from PubChem (CID 53381084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).