N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)

C8H10NO2RbS — CID 59534028

IUPACN,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)
SMILESCNS(=O)(=O)c1c[c-]cc(C)c1.[Rb+]
InChIInChI=1S/C8H10NO2S.Rb/c1-7-4-3-5-8(6-7)12(10,11)9-2;/h4-6,9H,1-2H3;/q-1;+1
InChIKeyFIBDUOQSXSUTHR-UHFFFAOYSA-N
MW269.71 g/mol
LogP-2.29
Rot. Bonds2

About N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)

N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+) (PubChem CID 59534028) has the molecular formula C8H10NO2RbS and a molecular weight of 269.71 g/mol. Its IUPAC name is N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+).

Molecular Properties

Compound NameN,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)
PubChem CID59534028
Molecular FormulaC8H10NO2RbS
Molecular Weight269.71 g/mol
Exact Mass268.96
IUPAC NameN,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)
SMILESCNS(=O)(=O)c1c[c-]cc(C)c1.[Rb+]
InChIInChI=1S/C8H10NO2S.Rb/c1-7-4-3-5-8(6-7)12(10,11)9-2;/h4-6,9H,1-2H3;/q-1;+1
InChIKeyFIBDUOQSXSUTHR-UHFFFAOYSA-N
XLogP-2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
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 N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)?
The IUPAC name of N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+) (CID 59534028) is N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+).
What is the SMILES notation for N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)?
The canonical SMILES for N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+) is CNS(=O)(=O)c1c[c-]cc(C)c1.[Rb+].
What is the InChIKey of N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)?
The InChIKey is FIBDUOQSXSUTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2S.Rb/c1-7-4-3-5-8(6-7)12(10,11)9-2;/h4-6,9H,1-2H3;/q-1;+1.
What are the key properties of N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)?
N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+) has a molecular weight of 269.71 g/mol, XLogP of -2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+) is sourced from PubChem (CID 59534028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).