naphthalene-1-sulfonic acid;2H-triazole

C12H11N3O3S — CID 122441144

IUPACnaphthalene-1-sulfonic acid;2H-triazole
SMILESO=S(=O)(O)c1cccc2ccccc12.c1cn[nH]n1
InChIInChI=1S/C10H8O3S.C2H3N3/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-5-3-1/h1-7H,(H,11,12,13);1-2H,(H,3,4,5)
InChIKeyDFHBHCRKRGGGRS-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.89
Rot. Bonds1

About naphthalene-1-sulfonic acid;2H-triazole

naphthalene-1-sulfonic acid;2H-triazole (PubChem CID 122441144) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is naphthalene-1-sulfonic acid;2H-triazole.

Molecular Properties

Compound Namenaphthalene-1-sulfonic acid;2H-triazole
PubChem CID122441144
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Namenaphthalene-1-sulfonic acid;2H-triazole
SMILESO=S(=O)(O)c1cccc2ccccc12.c1cn[nH]n1
InChIInChI=1S/C10H8O3S.C2H3N3/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-5-3-1/h1-7H,(H,11,12,13);1-2H,(H,3,4,5)
InChIKeyDFHBHCRKRGGGRS-UHFFFAOYSA-N
XLogP1.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-1-sulfonic acid
CID 158712346
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
CID 87599032
CID 87599032
methanamine;naphthalene-1-sulfonic acid
CID 174421353
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
naphthalene-1-sulfonic acid;phosphoric acid
CID 157288901
1H-imidazole;naphthalene-1-sulfonic acid
CID 122441142
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180

Frequently Asked Questions

What is the IUPAC name of naphthalene-1-sulfonic acid;2H-triazole?
The IUPAC name of naphthalene-1-sulfonic acid;2H-triazole (CID 122441144) is naphthalene-1-sulfonic acid;2H-triazole.
What is the SMILES notation for naphthalene-1-sulfonic acid;2H-triazole?
The canonical SMILES for naphthalene-1-sulfonic acid;2H-triazole is O=S(=O)(O)c1cccc2ccccc12.c1cn[nH]n1.
What is the InChIKey of naphthalene-1-sulfonic acid;2H-triazole?
The InChIKey is DFHBHCRKRGGGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.C2H3N3/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-5-3-1/h1-7H,(H,11,12,13);1-2H,(H,3,4,5).
What are the key properties of naphthalene-1-sulfonic acid;2H-triazole?
naphthalene-1-sulfonic acid;2H-triazole has a molecular weight of 277.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-sulfonic acid;2H-triazole is sourced from PubChem (CID 122441144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).