sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron

C10H10NNaO6S2 — CID 173209773

IUPACsodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron
SMILESNc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)[O-])c2c1.[H+].[H-].[Na+]
InChIInChI=1S/C10H9NO6S2.Na.H/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;+1;-1
InChIKeyUVNJJFWVJAVWBE-UHFFFAOYSA-N
MW327.31 g/mol
LogP-2.20
Rot. Bonds2

About sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron

sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron (PubChem CID 173209773) has the molecular formula C10H10NNaO6S2 and a molecular weight of 327.31 g/mol. Its IUPAC name is sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron.

Molecular Properties

Compound Namesodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron
PubChem CID173209773
Molecular FormulaC10H10NNaO6S2
Molecular Weight327.31 g/mol
Exact Mass326.98
IUPAC Namesodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron
SMILESNc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)[O-])c2c1.[H+].[H-].[Na+]
InChIInChI=1S/C10H9NO6S2.Na.H/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;+1;-1
InChIKeyUVNJJFWVJAVWBE-UHFFFAOYSA-N
XLogP-2.20
TPSA137.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-amino-5-sulfonaphthalene-1-sulfonate
CID 5143627
5-sulfonaphthalene-1-sulfonate
CID 3517121
sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173284943
disodium;anthracene-1,5-disulfonate
CID 87786614
trisodium;5-aminobenzene-1,2,3-trisulfonate
CID 101305558
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
dilithium;3-methylnaphthalene-1,5-disulfonate
CID 140636726
3-methylnaphthalene-1,5-disulfonate
CID 58611257
tripotassium;naphthalene-1,3,5-trisulfonate
CID 22486367
7-aminonaphthalene-1,3,5-trisulfonic acid;3-methylaniline
CID 159292475

Frequently Asked Questions

What is the IUPAC name of sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron?
The IUPAC name of sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron (CID 173209773) is sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron.
What is the SMILES notation for sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron?
The canonical SMILES for sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron is Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)[O-])c2c1.[H+].[H-].[Na+].
What is the InChIKey of sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron?
The InChIKey is UVNJJFWVJAVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6S2.Na.H/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;+1;-1.
What are the key properties of sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron?
sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron has a molecular weight of 327.31 g/mol, XLogP of -2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron is sourced from PubChem (CID 173209773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).