lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide

C8H9ClLiNO2S — CID 88765709

IUPAClithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1c[c-]ccc1Cl.[Li+]
InChIInChI=1S/C8H9ClNO2S.Li/c1-10(2)13(11,12)8-6-4-3-5-7(8)9;/h3,5-6H,1-2H3;/q-1;+1
InChIKeyAYBGLTQZJSYVEU-UHFFFAOYSA-N
MW225.63 g/mol
LogP-1.61
Rot. Bonds2

About lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide

lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide (PubChem CID 88765709) has the molecular formula C8H9ClLiNO2S and a molecular weight of 225.63 g/mol. Its IUPAC name is lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide.

Molecular Properties

Compound Namelithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide
PubChem CID88765709
Molecular FormulaC8H9ClLiNO2S
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Namelithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1c[c-]ccc1Cl.[Li+]
InChIInChI=1S/C8H9ClNO2S.Li/c1-10(2)13(11,12)8-6-4-3-5-7(8)9;/h3,5-6H,1-2H3;/q-1;+1
InChIKeyAYBGLTQZJSYVEU-UHFFFAOYSA-N
XLogP-1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 5-1.61
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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Related Compounds

CID 15829583
CID 15829583
CID 134894929
CID 134894929
CID 59973464
CID 59973464
CID 87067984
CID 87067984
CID 20704090
CID 20704090

Frequently Asked Questions

What is the IUPAC name of lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide?
The IUPAC name of lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide (CID 88765709) is lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide.
What is the SMILES notation for lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide?
The canonical SMILES for lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide is CN(C)S(=O)(=O)c1c[c-]ccc1Cl.[Li+].
What is the InChIKey of lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide?
The InChIKey is AYBGLTQZJSYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClNO2S.Li/c1-10(2)13(11,12)8-6-4-3-5-7(8)9;/h3,5-6H,1-2H3;/q-1;+1.
What are the key properties of lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide?
lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide has a molecular weight of 225.63 g/mol, XLogP of -1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-chloro-N,N-dimethylbenzene-5-ide-1-sulfonamide is sourced from PubChem (CID 88765709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).