sodium;hydride;methanesulfonic acid;naphthalene

C11H13NaO3S — CID 174430944

IUPACsodium;hydride;methanesulfonic acid;naphthalene
SMILESCS(=O)(=O)O.[H-].[Na+].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.CH4O3S.Na.H/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(2,3)4;;/h1-8H;1H3,(H,2,3,4);;/q;;+1;-1
InChIKeyVDGGXAVJCVAKHH-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.54
Rot. Bonds

About sodium;hydride;methanesulfonic acid;naphthalene

sodium;hydride;methanesulfonic acid;naphthalene (PubChem CID 174430944) has the molecular formula C11H13NaO3S and a molecular weight of 248.28 g/mol. Its IUPAC name is sodium;hydride;methanesulfonic acid;naphthalene.

Molecular Properties

Compound Namesodium;hydride;methanesulfonic acid;naphthalene
PubChem CID174430944
Molecular FormulaC11H13NaO3S
Molecular Weight248.28 g/mol
Exact Mass248.05
IUPAC Namesodium;hydride;methanesulfonic acid;naphthalene
SMILESCS(=O)(=O)O.[H-].[Na+].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.CH4O3S.Na.H/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(2,3)4;;/h1-8H;1H3,(H,2,3,4);;/q;;+1;-1
InChIKeyVDGGXAVJCVAKHH-UHFFFAOYSA-N
XLogP-0.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.54
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

(E)-2-naphthalen-1-ylethenesulfonyl fluoride
CID 132502427
Menaphthyl Sulfonate
CID 11419880
Sodium naphthalen-2-ylmethane sulfonate
CID 23661872
3-(1-Naphthyl)-1-propanesulfonic acid
CID 407193
Naphthalen-1-ylmethanesulfonyl chloride
CID 16774633
2-(1-Naphthyl)ethanesulfonyl Chloride
CID 21901305
Sodium (naphthalen-2-yl)methanesulfinate
CID 124203067
Sodium tetrahydronaphthalenesulphonate
CID 23684578
(Naphthalen-1-yl)methanesulfonylfluoride
CID 151506364
Sodium 3-naphthalen-1-ylpropane-1-sulfonic acid
CID 24180923
1,2,3,4-Tetrahydronaphthalen-1-ylmethanesulfonic acid
CID 14871586
1-(1,2,3,4-Tetrahydronaphthalen-1-yl)ethanesulfonic acid
CID 14871587

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methanesulfonic acid;naphthalene?
The IUPAC name of sodium;hydride;methanesulfonic acid;naphthalene (CID 174430944) is sodium;hydride;methanesulfonic acid;naphthalene.
What is the SMILES notation for sodium;hydride;methanesulfonic acid;naphthalene?
The canonical SMILES for sodium;hydride;methanesulfonic acid;naphthalene is CS(=O)(=O)O.[H-].[Na+].c1ccc2ccccc2c1.
What is the InChIKey of sodium;hydride;methanesulfonic acid;naphthalene?
The InChIKey is VDGGXAVJCVAKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.CH4O3S.Na.H/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(2,3)4;;/h1-8H;1H3,(H,2,3,4);;/q;;+1;-1.
What are the key properties of sodium;hydride;methanesulfonic acid;naphthalene?
sodium;hydride;methanesulfonic acid;naphthalene has a molecular weight of 248.28 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methanesulfonic acid;naphthalene is sourced from PubChem (CID 174430944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).