disodium;2-aminonaphthalene-1,3-disulfonate

C10H7NNa2O6S2 — CID 101310222

IUPACdisodium;2-aminonaphthalene-1,3-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cc2ccccc2c1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C10H9NO6S2.2Na/c11-9-8(18(12,13)14)5-6-3-1-2-4-7(6)10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeySLPULBUWCNLHMV-UHFFFAOYSA-L
MW347.28 g/mol
LogP-5.76
Rot. Bonds2

About disodium;2-aminonaphthalene-1,3-disulfonate

disodium;2-aminonaphthalene-1,3-disulfonate (PubChem CID 101310222) has the molecular formula C10H7NNa2O6S2 and a molecular weight of 347.28 g/mol. Its IUPAC name is disodium;2-aminonaphthalene-1,3-disulfonate.

Molecular Properties

Compound Namedisodium;2-aminonaphthalene-1,3-disulfonate
PubChem CID101310222
Molecular FormulaC10H7NNa2O6S2
Molecular Weight347.28 g/mol
Exact Mass346.95
IUPAC Namedisodium;2-aminonaphthalene-1,3-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cc2ccccc2c1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C10H9NO6S2.2Na/c11-9-8(18(12,13)14)5-6-3-1-2-4-7(6)10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeySLPULBUWCNLHMV-UHFFFAOYSA-L
XLogP-5.76
TPSA140.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 5-5.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

disodium;4-aminonaphthalene-1,3-disulfonate
CID 101310208
disodium;3-tert-butylnaphthalene-1,2-disulfonate
CID 118006346
tris(naphthalene-1,2-disulfonate);bis(neodymium(3+))
CID 141227115
potassium 2-aminonaphthalene-1-sulfonate
CID 23709766
calcium 1-prop-1-en-2-yloxysulfonylnaphthalene-2,3-disulfonate
CID 140773270
disodium;anthracene-1,5-disulfonate
CID 87786614
anthracene-1,2,3-trisulfonate;tris(rubidium(1+))
CID 166518972
calcium anthracene-1,2-disulfonate
CID 166518917
aluminum tris(2,3-dimethylnaphthalene-1-sulfonate)
CID 102601473
disodium;3-methyl-2-[(3-methyl-1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate
CID 175893020
3-methylnaphthalene-1-sulfonate
CID 59366561
3-nitronaphthalene-1,2-disulfonate
CID 23504320

Frequently Asked Questions

What is the IUPAC name of disodium;2-aminonaphthalene-1,3-disulfonate?
The IUPAC name of disodium;2-aminonaphthalene-1,3-disulfonate (CID 101310222) is disodium;2-aminonaphthalene-1,3-disulfonate.
What is the SMILES notation for disodium;2-aminonaphthalene-1,3-disulfonate?
The canonical SMILES for disodium;2-aminonaphthalene-1,3-disulfonate is Nc1c(S(=O)(=O)[O-])cc2ccccc2c1S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-aminonaphthalene-1,3-disulfonate?
The InChIKey is SLPULBUWCNLHMV-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9NO6S2.2Na/c11-9-8(18(12,13)14)5-6-3-1-2-4-7(6)10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;2-aminonaphthalene-1,3-disulfonate?
disodium;2-aminonaphthalene-1,3-disulfonate has a molecular weight of 347.28 g/mol, XLogP of -5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-aminonaphthalene-1,3-disulfonate is sourced from PubChem (CID 101310222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).