disodium;4-aminonaphthalene-1,3-disulfonate

C10H7NNa2O6S2 — CID 101310208

IUPACdisodium;4-aminonaphthalene-1,3-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]
InChIInChI=1S/C10H9NO6S2.2Na/c11-10-7-4-2-1-3-6(7)8(18(12,13)14)5-9(10)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyYLKJLJOMXUMLOE-UHFFFAOYSA-L
MW347.28 g/mol
LogP-5.76
Rot. Bonds2

About disodium;4-aminonaphthalene-1,3-disulfonate

disodium;4-aminonaphthalene-1,3-disulfonate (PubChem CID 101310208) has the molecular formula C10H7NNa2O6S2 and a molecular weight of 347.28 g/mol. Its IUPAC name is disodium;4-aminonaphthalene-1,3-disulfonate.

Molecular Properties

Compound Namedisodium;4-aminonaphthalene-1,3-disulfonate
PubChem CID101310208
Molecular FormulaC10H7NNa2O6S2
Molecular Weight347.28 g/mol
Exact Mass346.95
IUPAC Namedisodium;4-aminonaphthalene-1,3-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]
InChIInChI=1S/C10H9NO6S2.2Na/c11-10-7-4-2-1-3-6(7)8(18(12,13)14)5-9(10)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyYLKJLJOMXUMLOE-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

4-amino-3-nitronaphthalene-1-sulfonate
CID 3724521
disodium;2-aminonaphthalene-1,3-disulfonate
CID 101310222
4-amino-3-[(2-methylphenyl)diazenyl]naphthalene-1-sulfonate
CID 139208472
sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
CID 23707139
dilithium;2-aminobenzene-1,3-disulfonate
CID 101305541
potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate
CID 5338245
3-amino-5-sulfonaphthalene-1-sulfonate
CID 5143627
sodium 4-chloronaphthalene-1-sulfonate
CID 23667684
trilithium;2-aminobenzene-1,3,5-trisulfonate
CID 101305556
lithium 2-aminobenzenesulfonate
CID 59248314
sodium 1-amino-4-chloro-9,10-dioxoanthracene-2-sulfonate
CID 23703063
potassium 3,4-diethylnaphthalene-1-sulfonate
CID 101322408

Frequently Asked Questions

What is the IUPAC name of disodium;4-aminonaphthalene-1,3-disulfonate?
The IUPAC name of disodium;4-aminonaphthalene-1,3-disulfonate (CID 101310208) is disodium;4-aminonaphthalene-1,3-disulfonate.
What is the SMILES notation for disodium;4-aminonaphthalene-1,3-disulfonate?
The canonical SMILES for disodium;4-aminonaphthalene-1,3-disulfonate is Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+].
What is the InChIKey of disodium;4-aminonaphthalene-1,3-disulfonate?
The InChIKey is YLKJLJOMXUMLOE-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9NO6S2.2Na/c11-10-7-4-2-1-3-6(7)8(18(12,13)14)5-9(10)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;4-aminonaphthalene-1,3-disulfonate?
disodium;4-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;4-aminonaphthalene-1,3-disulfonate is sourced from PubChem (CID 101310208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).