lithium N,N-dimethyl-1-phenylmethanesulfonamide

C9H12LiNO2S — CID 14715704

IUPAClithium N,N-dimethyl-1-phenylmethanesulfonamide
SMILESCN(C)S(=O)(=O)[CH-]c1ccccc1.[Li+]
InChIInChI=1S/C9H12NO2S.Li/c1-10(2)13(11,12)8-9-6-4-3-5-7-9;/h3-8H,1-2H3;/q-1;+1
InChIKeyVQBWCKZDIJVHOS-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.91
Rot. Bonds3

About lithium N,N-dimethyl-1-phenylmethanesulfonamide

lithium N,N-dimethyl-1-phenylmethanesulfonamide (PubChem CID 14715704) has the molecular formula C9H12LiNO2S and a molecular weight of 205.21 g/mol. Its IUPAC name is lithium N,N-dimethyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound Namelithium N,N-dimethyl-1-phenylmethanesulfonamide
PubChem CID14715704
Molecular FormulaC9H12LiNO2S
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namelithium N,N-dimethyl-1-phenylmethanesulfonamide
SMILESCN(C)S(=O)(=O)[CH-]c1ccccc1.[Li+]
InChIInChI=1S/C9H12NO2S.Li/c1-10(2)13(11,12)8-9-6-4-3-5-7-9;/h3-8H,1-2H3;/q-1;+1
InChIKeyVQBWCKZDIJVHOS-UHFFFAOYSA-N
XLogP-1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.91
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

Benzylsulfonic acid
CID 7532
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
Benzenemethanesulfonamide
CID 78318
alpha-(Methylsulphonyl)toluene
CID 76562
Potassium Xylenesulfonate
CID 23689308
1-Phenylmethanesulfonyl-piperidine
CID 273955
N-Benzylsulfonylhydroxylamin
CID 23645541
{[(Benzylsulfonyl)amino]methyl}boronic Acid
CID 49837085
Benzeneethanesulfonamide
CID 204808
((1E)-2-(Methylsulfonyl)ethenyl)benzene
CID 5369327
3-Phenylpropane-1-sulfonamide
CID 12574638
N-methyl-1-phenylmethanesulfonamide
CID 290582

Frequently Asked Questions

What is the IUPAC name of lithium N,N-dimethyl-1-phenylmethanesulfonamide?
The IUPAC name of lithium N,N-dimethyl-1-phenylmethanesulfonamide (CID 14715704) is lithium N,N-dimethyl-1-phenylmethanesulfonamide.
What is the SMILES notation for lithium N,N-dimethyl-1-phenylmethanesulfonamide?
The canonical SMILES for lithium N,N-dimethyl-1-phenylmethanesulfonamide is CN(C)S(=O)(=O)[CH-]c1ccccc1.[Li+].
What is the InChIKey of lithium N,N-dimethyl-1-phenylmethanesulfonamide?
The InChIKey is VQBWCKZDIJVHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO2S.Li/c1-10(2)13(11,12)8-9-6-4-3-5-7-9;/h3-8H,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dimethyl-1-phenylmethanesulfonamide?
lithium N,N-dimethyl-1-phenylmethanesulfonamide has a molecular weight of 205.21 g/mol, XLogP of -1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 14715704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).