naphthalene;sulfamic acid

C10H14N2O6S2 — CID 67895351

IUPACnaphthalene;sulfamic acid
SMILESNS(=O)(=O)O.NS(=O)(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2H3NO3S/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4/h1-8H;2*(H3,1,2,3,4)
InChIKeyWMLFWKCGGQXQMI-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.34
Rot. Bonds

About naphthalene;sulfamic acid

naphthalene;sulfamic acid (PubChem CID 67895351) has the molecular formula C10H14N2O6S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is naphthalene;sulfamic acid.

Molecular Properties

Compound Namenaphthalene;sulfamic acid
PubChem CID67895351
Molecular FormulaC10H14N2O6S2
Molecular Weight322.36 g/mol
Exact Mass322.03
IUPAC Namenaphthalene;sulfamic acid
SMILESNS(=O)(=O)O.NS(=O)(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2H3NO3S/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4/h1-8H;2*(H3,1,2,3,4)
InChIKeyWMLFWKCGGQXQMI-UHFFFAOYSA-N
XLogP0.34
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 naphthalene;sulfamic acid?
The IUPAC name of naphthalene;sulfamic acid (CID 67895351) is naphthalene;sulfamic acid.
What is the SMILES notation for naphthalene;sulfamic acid?
The canonical SMILES for naphthalene;sulfamic acid is NS(=O)(=O)O.NS(=O)(=O)O.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;sulfamic acid?
The InChIKey is WMLFWKCGGQXQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2H3NO3S/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4/h1-8H;2*(H3,1,2,3,4).
What are the key properties of naphthalene;sulfamic acid?
naphthalene;sulfamic acid has a molecular weight of 322.36 g/mol, XLogP of 0.34, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;sulfamic acid is sourced from PubChem (CID 67895351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).