hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium

C13H13N3O5S — CID 87981415

IUPAChydrogen sulfate;4-(N-methoxyanilino)benzenediazonium
SMILESCON(c1ccccc1)c1ccc([N+]#N)cc1.O=S(=O)([O-])O
InChIInChI=1S/C13H12N3O.H2O4S/c1-17-16(12-5-3-2-4-6-12)13-9-7-11(15-14)8-10-13;1-5(2,3)4/h2-10H,1H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyYRFKWMMAFFECQB-UHFFFAOYSA-M
MW323.33 g/mol
LogP2.88
Rot. Bonds3

About hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium

hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium (PubChem CID 87981415) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium.

Molecular Properties

Compound Namehydrogen sulfate;4-(N-methoxyanilino)benzenediazonium
PubChem CID87981415
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC Namehydrogen sulfate;4-(N-methoxyanilino)benzenediazonium
SMILESCON(c1ccccc1)c1ccc([N+]#N)cc1.O=S(=O)([O-])O
InChIInChI=1S/C13H12N3O.H2O4S/c1-17-16(12-5-3-2-4-6-12)13-9-7-11(15-14)8-10-13;1-5(2,3)4/h2-10H,1H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyYRFKWMMAFFECQB-UHFFFAOYSA-M
XLogP2.88
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methoxy-N-phenylaniline
CID 88537361
4-sulfobenzenediazonium bromide
CID 11010880
dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)
CID 134930239
4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate
CID 24834554
2-methoxy-4-(N-sulfoanilino)benzenediazonium
CID 18916267
N-methoxy-N-phenylpyridin-4-amine
CID 23202301
4-diazoniobenzenesulfonate;hydron
CID 101327124
4-diazoniobenzenesulfonate;hydrochloride
CID 170853368
4-hydroxybenzenediazonium;sulfuric acid
CID 88765564
3-(acetyloxymethyl)-4-methoxybenzenediazonium;hydrogen sulfate
CID 134878131
tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate
CID 173289960
2,5-diethoxy-4-phenoxybenzenediazonium;hydrogen sulfate
CID 86032613

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium?
The IUPAC name of hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium (CID 87981415) is hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium.
What is the SMILES notation for hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium?
The canonical SMILES for hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium is CON(c1ccccc1)c1ccc([N+]#N)cc1.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium?
The InChIKey is YRFKWMMAFFECQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N3O.H2O4S/c1-17-16(12-5-3-2-4-6-12)13-9-7-11(15-14)8-10-13;1-5(2,3)4/h2-10H,1H3;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium?
hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium has a molecular weight of 323.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium is sourced from PubChem (CID 87981415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).