sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid

C8H8F3NaO3S — CID 173302154

IUPACsodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid
SMILESCc1cccc(C(F)(F)F)c1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C8H7F3O3S.Na.H/c1-5-3-2-4-6(8(9,10)11)7(5)15(12,13)14;;/h2-4H,1H3,(H,12,13,14);;/q;+1;-1
InChIKeyWEOXPWMWHQFZPY-UHFFFAOYSA-N
MW264.20 g/mol
LogP-0.62
Rot. Bonds1

About sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid

sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid (PubChem CID 173302154) has the molecular formula C8H8F3NaO3S and a molecular weight of 264.20 g/mol. Its IUPAC name is sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid
PubChem CID173302154
Molecular FormulaC8H8F3NaO3S
Molecular Weight264.20 g/mol
Exact Mass264.00
IUPAC Namesodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid
SMILESCc1cccc(C(F)(F)F)c1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C8H7F3O3S.Na.H/c1-5-3-2-4-6(8(9,10)11)7(5)15(12,13)14;;/h2-4H,1H3,(H,12,13,14);;/q;+1;-1
InChIKeyWEOXPWMWHQFZPY-UHFFFAOYSA-N
XLogP-0.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

calcium;2,6-dimethylbenzenesulfonic acid;hydride
CID 174636725
sodium;hydride;2-propyl-6-(trifluoromethyl)benzenesulfonic acid
CID 173302171
2-amino-6-(trifluoromethyl)benzenesulfonic acid
CID 23216666
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 18981651
2,6-dimethylbenzenesulfonic acid;pyrimidine
CID 175398711
2-(4-fluorophenyl)-6-methylbenzenesulfonic acid
CID 154370865
2-methyl-6-phenylbenzenesulfonic acid
CID 23031918
2-(aziridin-1-yl)-6-methylbenzenesulfonic acid
CID 175202856
(2,6-dimethylphenyl) 2-(trifluoromethyl)benzenesulfonate
CID 78786931
2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
2-ethyl-6-(trifluoromethyl)benzenesulfonate
CID 152762209

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid?
The IUPAC name of sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid (CID 173302154) is sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid.
What is the SMILES notation for sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid?
The canonical SMILES for sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid is Cc1cccc(C(F)(F)F)c1S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid?
The InChIKey is WEOXPWMWHQFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3S.Na.H/c1-5-3-2-4-6(8(9,10)11)7(5)15(12,13)14;;/h2-4H,1H3,(H,12,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid?
sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid has a molecular weight of 264.20 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid is sourced from PubChem (CID 173302154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).