2-bromo-6-nitrobenzenesulfonamide

C6H5BrN2O4S — CID 99771089

IUPAC2-bromo-6-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O4S/c7-4-2-1-3-5(9(10)11)6(4)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKeyRCHJYAUUOJYAQV-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.00
Rot. Bonds2

About 2-bromo-6-nitrobenzenesulfonamide

2-bromo-6-nitrobenzenesulfonamide (PubChem CID 99771089) has the molecular formula C6H5BrN2O4S and a molecular weight of 281.09 g/mol. Its IUPAC name is 2-bromo-6-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-nitrobenzenesulfonamide
PubChem CID99771089
Molecular FormulaC6H5BrN2O4S
Molecular Weight281.09 g/mol
Exact Mass279.92
IUPAC Name2-bromo-6-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O4S/c7-4-2-1-3-5(9(10)11)6(4)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKeyRCHJYAUUOJYAQV-UHFFFAOYSA-N
XLogP1.00
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-nitrobenzenesulfonamide?
The IUPAC name of 2-bromo-6-nitrobenzenesulfonamide (CID 99771089) is 2-bromo-6-nitrobenzenesulfonamide.
What is the SMILES notation for 2-bromo-6-nitrobenzenesulfonamide?
The canonical SMILES for 2-bromo-6-nitrobenzenesulfonamide is NS(=O)(=O)c1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-6-nitrobenzenesulfonamide?
The InChIKey is RCHJYAUUOJYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O4S/c7-4-2-1-3-5(9(10)11)6(4)14(8,12)13/h1-3H,(H2,8,12,13).
What are the key properties of 2-bromo-6-nitrobenzenesulfonamide?
2-bromo-6-nitrobenzenesulfonamide has a molecular weight of 281.09 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-nitrobenzenesulfonamide is sourced from PubChem (CID 99771089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).