lithium N,N-diethylbenzenesulfonamide

C10H14LiNO2S — CID 15829583

IUPAClithium N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1[c-]cccc1.[Li+]
InChIInChI=1S/C10H14NO2S.Li/c1-3-11(4-2)14(12,13)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-1;+1
InChIKeyNNKROLKMXTWNNJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.48
Rot. Bonds4

About lithium N,N-diethylbenzenesulfonamide

lithium N,N-diethylbenzenesulfonamide (PubChem CID 15829583) has the molecular formula C10H14LiNO2S and a molecular weight of 219.24 g/mol. Its IUPAC name is lithium N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Namelithium N,N-diethylbenzenesulfonamide
PubChem CID15829583
Molecular FormulaC10H14LiNO2S
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namelithium N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1[c-]cccc1.[Li+]
InChIInChI=1S/C10H14NO2S.Li/c1-3-11(4-2)14(12,13)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-1;+1
InChIKeyNNKROLKMXTWNNJ-UHFFFAOYSA-N
XLogP-1.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.48
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-diethylbenzenesulfonamide?
The IUPAC name of lithium N,N-diethylbenzenesulfonamide (CID 15829583) is lithium N,N-diethylbenzenesulfonamide.
What is the SMILES notation for lithium N,N-diethylbenzenesulfonamide?
The canonical SMILES for lithium N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1[c-]cccc1.[Li+].
What is the InChIKey of lithium N,N-diethylbenzenesulfonamide?
The InChIKey is NNKROLKMXTWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO2S.Li/c1-3-11(4-2)14(12,13)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-diethylbenzenesulfonamide?
lithium N,N-diethylbenzenesulfonamide has a molecular weight of 219.24 g/mol, XLogP of -1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 15829583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).