disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate

C10H7NNa2O7S2 — CID 102059922

IUPACdisodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate
SMILESNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc([O-])c12.[Na+].[Na+]
InChIInChI=1S/C10H9NO7S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyPHIMTKWJUXQMMA-UHFFFAOYSA-L
MW363.28 g/mol
LogP-6.35
Rot. Bonds2

About disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate

disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate (PubChem CID 102059922) has the molecular formula C10H7NNa2O7S2 and a molecular weight of 363.28 g/mol. Its IUPAC name is disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate.

Molecular Properties

Compound Namedisodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate
PubChem CID102059922
Molecular FormulaC10H7NNa2O7S2
Molecular Weight363.28 g/mol
Exact Mass362.95
IUPAC Namedisodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate
SMILESNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc([O-])c12.[Na+].[Na+]
InChIInChI=1S/C10H9NO7S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyPHIMTKWJUXQMMA-UHFFFAOYSA-L
XLogP-6.35
TPSA160.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 5-6.35
H-Bond Donors ≤ 52
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

sodium 3-amino-2-carboxy-5-sulfophenolate
CID 101305634
disodium;4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102057857
disodium;2-amino-6-oxido-4-sulfobenzoate
CID 101305670
disodium;6-amino-5-[(4-chloro-2-sulfophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 102267590
disodium;4-[(2Z)-2-[(5Z)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 170846787
6-amino-3-sulfonaphthalen-1-olate
CID 163421905
disodium;4-[[(3E,5Z)-4,6-dioxo-3,5-bis(phenylhydrazinylidene)cyclohexen-1-yl]diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 170847401
disodium;8-amino-2-[[4-[4-[(8-amino-1-oxido-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-3,6-disulfonaphthalen-1-olate
CID 170850178
disodium;4-amino-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102269739
4-amino-5-hydroxy-7-(sulfomethyl)naphthalene-2-sulfonic acid
CID 163932111
5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
CID 143211913
sodium 3-sulfonaphthalen-1-olate
CID 101310118

Frequently Asked Questions

What is the IUPAC name of disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate?
The IUPAC name of disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate (CID 102059922) is disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate.
What is the SMILES notation for disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate?
The canonical SMILES for disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate is Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc([O-])c12.[Na+].[Na+].
What is the InChIKey of disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate?
The InChIKey is PHIMTKWJUXQMMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9NO7S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2.
What are the key properties of disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate?
disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate has a molecular weight of 363.28 g/mol, XLogP of -6.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate is sourced from PubChem (CID 102059922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).