1H-imidazole;naphthalene-1-sulfonic acid

C13H12N2O3S — CID 122441142

IUPAC1H-imidazole;naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ccccc12.c1c[nH]cn1
InChIInChI=1S/C10H8O3S.C3H4N2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-5-3-4-1/h1-7H,(H,11,12,13);1-3H,(H,4,5)
InChIKeyJNDKZHFWCDFDQD-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.50
Rot. Bonds1

About 1H-imidazole;naphthalene-1-sulfonic acid

1H-imidazole;naphthalene-1-sulfonic acid (PubChem CID 122441142) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1H-imidazole;naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name1H-imidazole;naphthalene-1-sulfonic acid
PubChem CID122441142
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name1H-imidazole;naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ccccc12.c1c[nH]cn1
InChIInChI=1S/C10H8O3S.C3H4N2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-5-3-4-1/h1-7H,(H,11,12,13);1-3H,(H,4,5)
InChIKeyJNDKZHFWCDFDQD-UHFFFAOYSA-N
XLogP2.50
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1H-imidazole;naphthalene-1-sulfonic acid?
The IUPAC name of 1H-imidazole;naphthalene-1-sulfonic acid (CID 122441142) is 1H-imidazole;naphthalene-1-sulfonic acid.
What is the SMILES notation for 1H-imidazole;naphthalene-1-sulfonic acid?
The canonical SMILES for 1H-imidazole;naphthalene-1-sulfonic acid is O=S(=O)(O)c1cccc2ccccc12.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;naphthalene-1-sulfonic acid?
The InChIKey is JNDKZHFWCDFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.C3H4N2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-5-3-4-1/h1-7H,(H,11,12,13);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;naphthalene-1-sulfonic acid?
1H-imidazole;naphthalene-1-sulfonic acid has a molecular weight of 276.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;naphthalene-1-sulfonic acid is sourced from PubChem (CID 122441142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).