naphthalen-2-ylmethanesulfonic acid

C11H10O3S — CID 11419880

IUPACnaphthalen-2-ylmethanesulfonic acid
SMILESO=S(=O)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C11H10O3S/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,12,13,14)
InChIKeyIHYQMTYKGRHILX-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.23
Rot. Bonds2

About naphthalen-2-ylmethanesulfonic acid

naphthalen-2-ylmethanesulfonic acid (PubChem CID 11419880) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is naphthalen-2-ylmethanesulfonic acid.

Molecular Properties

Compound Namenaphthalen-2-ylmethanesulfonic acid
PubChem CID11419880
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Namenaphthalen-2-ylmethanesulfonic acid
SMILESO=S(=O)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C11H10O3S/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,12,13,14)
InChIKeyIHYQMTYKGRHILX-UHFFFAOYSA-N
XLogP2.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethanesulfonic acid?
The IUPAC name of naphthalen-2-ylmethanesulfonic acid (CID 11419880) is naphthalen-2-ylmethanesulfonic acid.
What is the SMILES notation for naphthalen-2-ylmethanesulfonic acid?
The canonical SMILES for naphthalen-2-ylmethanesulfonic acid is O=S(=O)(O)Cc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylmethanesulfonic acid?
The InChIKey is IHYQMTYKGRHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,12,13,14).
What are the key properties of naphthalen-2-ylmethanesulfonic acid?
naphthalen-2-ylmethanesulfonic acid has a molecular weight of 222.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethanesulfonic acid is sourced from PubChem (CID 11419880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).