naphthalene-2-sulfonic acid

C10H8O3S — CID 8420

IUPACnaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
InChIKeyKVBGVZZKJNLNJU-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.09
Rot. Bonds1

About naphthalene-2-sulfonic acid

naphthalene-2-sulfonic acid (PubChem CID 8420) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is naphthalene-2-sulfonic acid.

Molecular Properties

Compound Namenaphthalene-2-sulfonic acid
PubChem CID8420
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Namenaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
InChIKeyKVBGVZZKJNLNJU-UHFFFAOYSA-N
XLogP2.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.09
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

CID 87246277
CID 87246277
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
Dispersing Agent NNO
CID 156594502
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
tetracene-2-sulfonic acid
CID 21483873
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2,3,6-trisulfonic acid
CID 42609669
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid
CID 86743112

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-sulfonic acid?
The IUPAC name of naphthalene-2-sulfonic acid (CID 8420) is naphthalene-2-sulfonic acid.
What is the SMILES notation for naphthalene-2-sulfonic acid?
The canonical SMILES for naphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-sulfonic acid?
The InChIKey is KVBGVZZKJNLNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13).
What are the key properties of naphthalene-2-sulfonic acid?
naphthalene-2-sulfonic acid has a molecular weight of 208.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-sulfonic acid is sourced from PubChem (CID 8420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).