lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide

C11H16LiNO2S — CID 135071354

IUPAClithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1[c-]cc(C)cc1.[Li+]
InChIInChI=1S/C11H16NO2S.Li/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11;/h6-8H,4-5H2,1-3H3;/q-1;+1
InChIKeyOZDWEKGCMSWYTJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP-1.17
Rot. Bonds4

About lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide

lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide (PubChem CID 135071354) has the molecular formula C11H16LiNO2S and a molecular weight of 233.26 g/mol. Its IUPAC name is lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide.

Molecular Properties

Compound Namelithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide
PubChem CID135071354
Molecular FormulaC11H16LiNO2S
Molecular Weight233.26 g/mol
Exact Mass233.11
IUPAC Namelithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1[c-]cc(C)cc1.[Li+]
InChIInChI=1S/C11H16NO2S.Li/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11;/h6-8H,4-5H2,1-3H3;/q-1;+1
InChIKeyOZDWEKGCMSWYTJ-UHFFFAOYSA-N
XLogP-1.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.17
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-diethyl-4-methylbenzene-6-ide-1-sulfonamide?
The IUPAC name of lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide (CID 135071354) is lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide.
What is the SMILES notation for lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide?
The canonical SMILES for lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide is CCN(CC)S(=O)(=O)c1[c-]cc(C)cc1.[Li+].
What is the InChIKey of lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide?
The InChIKey is OZDWEKGCMSWYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2S.Li/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11;/h6-8H,4-5H2,1-3H3;/q-1;+1.
What are the key properties of lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide?
lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide has a molecular weight of 233.26 g/mol, XLogP of -1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide is sourced from PubChem (CID 135071354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).