sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate

C11H12N3NaO7S — CID 135848721

IUPACsodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate
SMILESNC(=O)/N=N/c1ccc2cccc(S(=O)(=O)[O-])c2c1O.O.O.[Na+]
InChIInChI=1S/C11H9N3O5S.Na.2H2O/c12-11(16)14-13-7-5-4-6-2-1-3-8(20(17,18)19)9(6)10(7)15;;;/h1-5,15H,(H2,12,16)(H,17,18,19);;2*1H2/q;+1;;/p-1/b14-13+;;;
InChIKeyUZFIZPKPIWVUSY-VPOCKCTCSA-M
MW353.29 g/mol
LogP-3.03
Rot. Bonds2

About sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate

sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate (PubChem CID 135848721) has the molecular formula C11H12N3NaO7S and a molecular weight of 353.29 g/mol. Its IUPAC name is sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate.

Molecular Properties

Compound Namesodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate
PubChem CID135848721
Molecular FormulaC11H12N3NaO7S
Molecular Weight353.29 g/mol
Exact Mass353.03
IUPAC Namesodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate
SMILESNC(=O)/N=N/c1ccc2cccc(S(=O)(=O)[O-])c2c1O.O.O.[Na+]
InChIInChI=1S/C11H9N3O5S.Na.2H2O/c12-11(16)14-13-7-5-4-6-2-1-3-8(20(17,18)19)9(6)10(7)15;;;/h1-5,15H,(H2,12,16)(H,17,18,19);;2*1H2/q;+1;;/p-1/b14-13+;;;
InChIKeyUZFIZPKPIWVUSY-VPOCKCTCSA-M
XLogP-3.03
TPSA208.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 5-3.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 8-hydroxynaphthalene-1-sulfonate
CID 23672328
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxy-8-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
CID 2753299
8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid
CID 23422680
sodium 8-chloronaphthalene-1-sulfonate
CID 23667431
sodium 8-methylnaphthalene-1-sulfonate
CID 101315117
magnesium 8-aminonaphthalene-1-sulfonate
CID 3017064
tricalcium;bis(naphthalene-1-sulfonate);dicarbonate
CID 173383364
sodium 7-hydroxy-8-[[2-methyl-4-[(2-methyl-4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 156676683
8-cyanonaphthalene-1-sulfonate
CID 4578291
disodium;5-sulfonatonaphthalene-1-carboxylate
CID 160700903
sodium;pyrene-1-sulfonate;pyrene-1-sulfonic acid
CID 174624723
disodium;anthracene-1,5-disulfonate
CID 87786614

Frequently Asked Questions

What is the IUPAC name of sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate?
The IUPAC name of sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate (CID 135848721) is sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate.
What is the SMILES notation for sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate?
The canonical SMILES for sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate is NC(=O)/N=N/c1ccc2cccc(S(=O)(=O)[O-])c2c1O.O.O.[Na+].
What is the InChIKey of sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate?
The InChIKey is UZFIZPKPIWVUSY-VPOCKCTCSA-M. The full InChI is InChI=1S/C11H9N3O5S.Na.2H2O/c12-11(16)14-13-7-5-4-6-2-1-3-8(20(17,18)19)9(6)10(7)15;;;/h1-5,15H,(H2,12,16)(H,17,18,19);;2*1H2/q;+1;;/p-1/b14-13+;;;.
What are the key properties of sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate?
sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate has a molecular weight of 353.29 g/mol, XLogP of -3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate is sourced from PubChem (CID 135848721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).