lithium N,N-dimethylbenzenesulfonamide

C8H10LiNO2S — CID 134894929

IUPAClithium N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1[c-]cccc1.[Li+]
InChIInChI=1S/C8H10NO2S.Li/c1-9(2)12(10,11)8-6-4-3-5-7-8;/h3-6H,1-2H3;/q-1;+1
InChIKeyQCTQCRLBVDCFFT-UHFFFAOYSA-N
MW191.18 g/mol
LogP-2.26
Rot. Bonds2

About lithium N,N-dimethylbenzenesulfonamide

lithium N,N-dimethylbenzenesulfonamide (PubChem CID 134894929) has the molecular formula C8H10LiNO2S and a molecular weight of 191.18 g/mol. Its IUPAC name is lithium N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Namelithium N,N-dimethylbenzenesulfonamide
PubChem CID134894929
Molecular FormulaC8H10LiNO2S
Molecular Weight191.18 g/mol
Exact Mass191.06
IUPAC Namelithium N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1[c-]cccc1.[Li+]
InChIInChI=1S/C8H10NO2S.Li/c1-9(2)12(10,11)8-6-4-3-5-7-8;/h3-6H,1-2H3;/q-1;+1
InChIKeyQCTQCRLBVDCFFT-UHFFFAOYSA-N
XLogP-2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.26
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 lithium N,N-dimethylbenzenesulfonamide?
The IUPAC name of lithium N,N-dimethylbenzenesulfonamide (CID 134894929) is lithium N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for lithium N,N-dimethylbenzenesulfonamide?
The canonical SMILES for lithium N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1[c-]cccc1.[Li+].
What is the InChIKey of lithium N,N-dimethylbenzenesulfonamide?
The InChIKey is QCTQCRLBVDCFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2S.Li/c1-9(2)12(10,11)8-6-4-3-5-7-8;/h3-6H,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dimethylbenzenesulfonamide?
lithium N,N-dimethylbenzenesulfonamide has a molecular weight of 191.18 g/mol, XLogP of -2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 134894929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).