sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite

C16H13N3NaO3S- — CID 20837891

IUPACsodium;4-phenyldiazenylnaphthalen-1-amine;sulfite
SMILESNc1ccc(/N=N/c2ccccc2)c2ccccc12.O=S([O-])[O-].[Na+]
InChIInChI=1S/C16H13N3.Na.H2O3S/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12;;1-4(2)3/h1-11H,17H2;;(H2,1,2,3)/q;+1;/p-2/b19-18+;;
InChIKeyWHNKXIVKNVARCE-BUFQOAPZSA-L
MW350.36 g/mol
LogP0.84
Rot. Bonds2

About sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite

sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite (PubChem CID 20837891) has the molecular formula C16H13N3NaO3S- and a molecular weight of 350.36 g/mol. Its IUPAC name is sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite.

Molecular Properties

Compound Namesodium;4-phenyldiazenylnaphthalen-1-amine;sulfite
PubChem CID20837891
Molecular FormulaC16H13N3NaO3S-
Molecular Weight350.36 g/mol
Exact Mass350.06
IUPAC Namesodium;4-phenyldiazenylnaphthalen-1-amine;sulfite
SMILESNc1ccc(/N=N/c2ccccc2)c2ccccc12.O=S([O-])[O-].[Na+]
InChIInChI=1S/C16H13N3.Na.H2O3S/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12;;1-4(2)3/h1-11H,17H2;;(H2,1,2,3)/q;+1;/p-2/b19-18+;;
InChIKeyWHNKXIVKNVARCE-BUFQOAPZSA-L
XLogP0.84
TPSA113.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-phenylphenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-amine
CID 88875063
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 2725202
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
(6-amino-4-phenyldiazenylnaphthalen-1-yl) sulfite
CID 174909699
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile
CID 154663439
diphenyldiazene;naphthalen-1-amine
CID 159387194
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
CID 158523650
2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
CID 3019870

Frequently Asked Questions

What is the IUPAC name of sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite?
The IUPAC name of sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite (CID 20837891) is sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite.
What is the SMILES notation for sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite?
The canonical SMILES for sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite is Nc1ccc(/N=N/c2ccccc2)c2ccccc12.O=S([O-])[O-].[Na+].
What is the InChIKey of sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite?
The InChIKey is WHNKXIVKNVARCE-BUFQOAPZSA-L. The full InChI is InChI=1S/C16H13N3.Na.H2O3S/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12;;1-4(2)3/h1-11H,17H2;;(H2,1,2,3)/q;+1;/p-2/b19-18+;;.
What are the key properties of sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite?
sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite has a molecular weight of 350.36 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite is sourced from PubChem (CID 20837891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).