sodium;N-bromobenzenesulfonamide;hydride

C6H7BrNNaO2S — CID 139243584

IUPACsodium;N-bromobenzenesulfonamide;hydride
SMILESO=S(=O)(NBr)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6BrNO2S.Na.H/c7-8-11(9,10)6-4-2-1-3-5-6;;/h1-5,8H;;/q;+1;-1
InChIKeyGJIDJUILSZPUDF-UHFFFAOYSA-N
MW260.09 g/mol
LogP-1.61
Rot. Bonds2

About sodium;N-bromobenzenesulfonamide;hydride

sodium;N-bromobenzenesulfonamide;hydride (PubChem CID 139243584) has the molecular formula C6H7BrNNaO2S and a molecular weight of 260.09 g/mol. Its IUPAC name is sodium;N-bromobenzenesulfonamide;hydride.

Molecular Properties

Compound Namesodium;N-bromobenzenesulfonamide;hydride
PubChem CID139243584
Molecular FormulaC6H7BrNNaO2S
Molecular Weight260.09 g/mol
Exact Mass258.93
IUPAC Namesodium;N-bromobenzenesulfonamide;hydride
SMILESO=S(=O)(NBr)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6BrNO2S.Na.H/c7-8-11(9,10)6-4-2-1-3-5-6;;/h1-5,8H;;/q;+1;-1
InChIKeyGJIDJUILSZPUDF-UHFFFAOYSA-N
XLogP-1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;N-bromobenzenesulfonamide;hydride?
The IUPAC name of sodium;N-bromobenzenesulfonamide;hydride (CID 139243584) is sodium;N-bromobenzenesulfonamide;hydride.
What is the SMILES notation for sodium;N-bromobenzenesulfonamide;hydride?
The canonical SMILES for sodium;N-bromobenzenesulfonamide;hydride is O=S(=O)(NBr)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;N-bromobenzenesulfonamide;hydride?
The InChIKey is GJIDJUILSZPUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S.Na.H/c7-8-11(9,10)6-4-2-1-3-5-6;;/h1-5,8H;;/q;+1;-1.
What are the key properties of sodium;N-bromobenzenesulfonamide;hydride?
sodium;N-bromobenzenesulfonamide;hydride has a molecular weight of 260.09 g/mol, XLogP of -1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-bromobenzenesulfonamide;hydride is sourced from PubChem (CID 139243584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).