magnesium;N,N-dimethylbenzenesulfonamide;bromide

C8H10BrMgNO2S — CID 87067984

IUPACmagnesium;N,N-dimethylbenzenesulfonamide;bromide
SMILESCN(C)S(=O)(=O)c1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C8H10NO2S.BrH.Mg/c1-9(2)12(10,11)8-6-4-3-5-7-8;;/h4-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNNNWMZFOEBTVJP-UHFFFAOYSA-M
MW288.45 g/mol
LogP-2.64
Rot. Bonds2

About magnesium;N,N-dimethylbenzenesulfonamide;bromide

magnesium;N,N-dimethylbenzenesulfonamide;bromide (PubChem CID 87067984) has the molecular formula C8H10BrMgNO2S and a molecular weight of 288.45 g/mol. Its IUPAC name is magnesium;N,N-dimethylbenzenesulfonamide;bromide.

Molecular Properties

Compound Namemagnesium;N,N-dimethylbenzenesulfonamide;bromide
PubChem CID87067984
Molecular FormulaC8H10BrMgNO2S
Molecular Weight288.45 g/mol
Exact Mass286.95
IUPAC Namemagnesium;N,N-dimethylbenzenesulfonamide;bromide
SMILESCN(C)S(=O)(=O)c1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C8H10NO2S.BrH.Mg/c1-9(2)12(10,11)8-6-4-3-5-7-8;;/h4-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNNNWMZFOEBTVJP-UHFFFAOYSA-M
XLogP-2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 5-2.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-dimethylbenzenesulfonamide;bromide?
The IUPAC name of magnesium;N,N-dimethylbenzenesulfonamide;bromide (CID 87067984) is magnesium;N,N-dimethylbenzenesulfonamide;bromide.
What is the SMILES notation for magnesium;N,N-dimethylbenzenesulfonamide;bromide?
The canonical SMILES for magnesium;N,N-dimethylbenzenesulfonamide;bromide is CN(C)S(=O)(=O)c1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;N,N-dimethylbenzenesulfonamide;bromide?
The InChIKey is NNNWMZFOEBTVJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10NO2S.BrH.Mg/c1-9(2)12(10,11)8-6-4-3-5-7-8;;/h4-7H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N-dimethylbenzenesulfonamide;bromide?
magnesium;N,N-dimethylbenzenesulfonamide;bromide has a molecular weight of 288.45 g/mol, XLogP of -2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N-dimethylbenzenesulfonamide;bromide is sourced from PubChem (CID 87067984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).