sodium (2-aminonaphthalen-1-yl) sulfate

C10H8NNaO4S — CID 175508188

IUPACsodium (2-aminonaphthalen-1-yl) sulfate
SMILESNc1ccc2ccccc2c1OS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H9NO4S.Na/c11-9-6-5-7-3-1-2-4-8(7)10(9)15-16(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
InChIKeyLKYIWXACUQGRMU-UHFFFAOYSA-M
MW261.23 g/mol
LogP-1.74
Rot. Bonds2

About sodium (2-aminonaphthalen-1-yl) sulfate

sodium (2-aminonaphthalen-1-yl) sulfate (PubChem CID 175508188) has the molecular formula C10H8NNaO4S and a molecular weight of 261.23 g/mol. Its IUPAC name is sodium (2-aminonaphthalen-1-yl) sulfate.

Molecular Properties

Compound Namesodium (2-aminonaphthalen-1-yl) sulfate
PubChem CID175508188
Molecular FormulaC10H8NNaO4S
Molecular Weight261.23 g/mol
Exact Mass261.01
IUPAC Namesodium (2-aminonaphthalen-1-yl) sulfate
SMILESNc1ccc2ccccc2c1OS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H9NO4S.Na/c11-9-6-5-7-3-1-2-4-8(7)10(9)15-16(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
InChIKeyLKYIWXACUQGRMU-UHFFFAOYSA-M
XLogP-1.74
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-aminonaphthalene-1-sulfonate
CID 23709766
disodium;(4-sulfonatooxynaphthalen-1-yl) sulfate
CID 66863421
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
naphthalen-1-yl sulfamate
CID 25056076
sodium phenyl sulfate
CID 23678346
bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)
CID 139070934
CID 135259743
CID 135259743
disodium;2-aminonaphthalene-1,3-disulfonate
CID 101310222
CID 174017027
CID 174017027
1-phosphanylnaphthalen-2-amine
CID 15207058
naphthalen-1-amine;trifluoromethanesulfonic acid
CID 175237675

Frequently Asked Questions

What is the IUPAC name of sodium (2-aminonaphthalen-1-yl) sulfate?
The IUPAC name of sodium (2-aminonaphthalen-1-yl) sulfate (CID 175508188) is sodium (2-aminonaphthalen-1-yl) sulfate.
What is the SMILES notation for sodium (2-aminonaphthalen-1-yl) sulfate?
The canonical SMILES for sodium (2-aminonaphthalen-1-yl) sulfate is Nc1ccc2ccccc2c1OS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium (2-aminonaphthalen-1-yl) sulfate?
The InChIKey is LKYIWXACUQGRMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4S.Na/c11-9-6-5-7-3-1-2-4-8(7)10(9)15-16(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium (2-aminonaphthalen-1-yl) sulfate?
sodium (2-aminonaphthalen-1-yl) sulfate has a molecular weight of 261.23 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-aminonaphthalen-1-yl) sulfate is sourced from PubChem (CID 175508188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).