disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid

C18H16N2Na2O6S — CID 173040518

IUPACdisodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
SMILESCc1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C18H14N2O6S.2Na.2H/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;;;/q;2*+1;2*-1/b20-19+;;;;
InChIKeyFESUSMQJQYTNHK-MVIJUDHYSA-N
MW434.38 g/mol
LogP-1.55
Rot. Bonds4

About disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid

disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid (PubChem CID 173040518) has the molecular formula C18H16N2Na2O6S and a molecular weight of 434.38 g/mol. Its IUPAC name is disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Namedisodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
PubChem CID173040518
Molecular FormulaC18H16N2Na2O6S
Molecular Weight434.38 g/mol
Exact Mass434.05
IUPAC Namedisodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
SMILESCc1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C18H14N2O6S.2Na.2H/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;;;/q;2*+1;2*-1/b20-19+;;;;
InChIKeyFESUSMQJQYTNHK-MVIJUDHYSA-N
XLogP-1.55
TPSA136.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
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

calcium;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid;4-[(4-methyl-2-sulfophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate
CID 136864822
calcium;4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173363896
barium(2+);4-[(4-methyl-2-sulfophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate
CID 170839666
bis(2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate);methane
CID 167712727
4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136855518
calcium;4-[(2-chloro-3-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid;4-[(2-chloro-3-sulfophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate
CID 136714496
2-[(1-hydroxy-3,6-dimethylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid
CID 135714424
barium(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid;5-methyl-2-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
CID 136694057
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044
3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
CID 3108214
7-anilino-3-[[4-[[2,5-dimethoxy-4-[(4-methyl-2-sulfophenyl)diazenyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137200907

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid?
The IUPAC name of disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid (CID 173040518) is disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid is Cc1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid?
The InChIKey is FESUSMQJQYTNHK-MVIJUDHYSA-N. The full InChI is InChI=1S/C18H14N2O6S.2Na.2H/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;;;/q;2*+1;2*-1/b20-19+;;;;.
What are the key properties of disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid?
disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid has a molecular weight of 434.38 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 173040518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).