azanium naphthalene-1-sulfonate

C10H11NO3S — CID 3015890

IUPACazanium naphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cccc2ccccc12.[NH4+]
InChIInChI=1S/C10H8O3S.H3N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);1H3
InChIKeyFWDSBAGKRBHRJH-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.12
Rot. Bonds1

About azanium naphthalene-1-sulfonate

azanium naphthalene-1-sulfonate (PubChem CID 3015890) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is azanium naphthalene-1-sulfonate.

Molecular Properties

Compound Nameazanium naphthalene-1-sulfonate
PubChem CID3015890
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Nameazanium naphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cccc2ccccc12.[NH4+]
InChIInChI=1S/C10H8O3S.H3N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);1H3
InChIKeyFWDSBAGKRBHRJH-UHFFFAOYSA-N
XLogP2.12
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 azanium naphthalene-1-sulfonate?
The IUPAC name of azanium naphthalene-1-sulfonate (CID 3015890) is azanium naphthalene-1-sulfonate.
What is the SMILES notation for azanium naphthalene-1-sulfonate?
The canonical SMILES for azanium naphthalene-1-sulfonate is O=S(=O)([O-])c1cccc2ccccc12.[NH4+].
What is the InChIKey of azanium naphthalene-1-sulfonate?
The InChIKey is FWDSBAGKRBHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.H3N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);1H3.
What are the key properties of azanium naphthalene-1-sulfonate?
azanium naphthalene-1-sulfonate has a molecular weight of 225.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium naphthalene-1-sulfonate is sourced from PubChem (CID 3015890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).