4-anilino-1-diazonionaphthalene-2-sulfonate

C16H11N3O3S — CID 19933803

IUPAC4-anilino-1-diazonionaphthalene-2-sulfonate
SMILESN#[N+]c1c(S(=O)(=O)[O-])cc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H11N3O3S/c17-19-16-13-9-5-4-8-12(13)14(10-15(16)23(20,21)22)18-11-6-2-1-3-7-11/h1-10,18H
InChIKeyFXVFWUKUPMLQDR-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.97
Rot. Bonds3

About 4-anilino-1-diazonionaphthalene-2-sulfonate

4-anilino-1-diazonionaphthalene-2-sulfonate (PubChem CID 19933803) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-anilino-1-diazonionaphthalene-2-sulfonate.

Molecular Properties

Compound Name4-anilino-1-diazonionaphthalene-2-sulfonate
PubChem CID19933803
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name4-anilino-1-diazonionaphthalene-2-sulfonate
SMILESN#[N+]c1c(S(=O)(=O)[O-])cc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H11N3O3S/c17-19-16-13-9-5-4-8-12(13)14(10-15(16)23(20,21)22)18-11-6-2-1-3-7-11/h1-10,18H
InChIKeyFXVFWUKUPMLQDR-UHFFFAOYSA-N
XLogP3.97
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-anilino-5-diazoniobenzenesulfonate
CID 177466574
4-anilino-3-(phenylsulfamoyl)benzenediazonium
CID 88786798
4-anilinonaphthalene-1-diazonium
CID 19777771
2,3-dianilinonaphthalene-1-sulfonate
CID 22506510
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
sodium 2,4-dianilino-5-nitrobenzenesulfonate
CID 21233384
4-anilinonaphthalene-1-sulfonic acid
CID 23333412
dibismuth;N-phenylaniline;trisulfate
CID 174856272
sodium 4-anilino-2-chlorobenzenesulfonate
CID 88505151
2-diazoniobenzenesulfonate
CID 10535477
CID 50987199
CID 50987199
sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
CID 23707139

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-diazonionaphthalene-2-sulfonate?
The IUPAC name of 4-anilino-1-diazonionaphthalene-2-sulfonate (CID 19933803) is 4-anilino-1-diazonionaphthalene-2-sulfonate.
What is the SMILES notation for 4-anilino-1-diazonionaphthalene-2-sulfonate?
The canonical SMILES for 4-anilino-1-diazonionaphthalene-2-sulfonate is N#[N+]c1c(S(=O)(=O)[O-])cc(Nc2ccccc2)c2ccccc12.
What is the InChIKey of 4-anilino-1-diazonionaphthalene-2-sulfonate?
The InChIKey is FXVFWUKUPMLQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c17-19-16-13-9-5-4-8-12(13)14(10-15(16)23(20,21)22)18-11-6-2-1-3-7-11/h1-10,18H.
What are the key properties of 4-anilino-1-diazonionaphthalene-2-sulfonate?
4-anilino-1-diazonionaphthalene-2-sulfonate has a molecular weight of 325.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-diazonionaphthalene-2-sulfonate is sourced from PubChem (CID 19933803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).