2-anilino-5-diazoniobenzenesulfonate

C12H9N3O3S — CID 177466574

IUPAC2-anilino-5-diazoniobenzenesulfonate
SMILESN#[N+]c1ccc(Nc2ccccc2)c(S(=O)(=O)[O-])c1
InChIInChI=1S/C12H9N3O3S/c13-15-10-6-7-11(12(8-10)19(16,17)18)14-9-4-2-1-3-5-9/h1-8,14H
InChIKeyUHACMBKASVKHQT-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.82
Rot. Bonds3

About 2-anilino-5-diazoniobenzenesulfonate

2-anilino-5-diazoniobenzenesulfonate (PubChem CID 177466574) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-anilino-5-diazoniobenzenesulfonate.

Molecular Properties

Compound Name2-anilino-5-diazoniobenzenesulfonate
PubChem CID177466574
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name2-anilino-5-diazoniobenzenesulfonate
SMILESN#[N+]c1ccc(Nc2ccccc2)c(S(=O)(=O)[O-])c1
InChIInChI=1S/C12H9N3O3S/c13-15-10-6-7-11(12(8-10)19(16,17)18)14-9-4-2-1-3-5-9/h1-8,14H
InChIKeyUHACMBKASVKHQT-UHFFFAOYSA-N
XLogP2.82
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.82
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

4-anilino-3-(phenylsulfamoyl)benzenediazonium
CID 88786798
4-anilino-1-diazonionaphthalene-2-sulfonate
CID 19933803
sodium 2,4-dianilino-5-nitrobenzenesulfonate
CID 21233384
sodium 2-anilino-5-(4-carboxy-2,6-dinitroanilino)benzenesulfonate
CID 90475209
dibismuth;N-phenylaniline;trisulfate
CID 174856272
4,5-diamino-2-anilinobenzenesulfonic acid
CID 151889508
2,3-dianilinonaphthalene-1-sulfonate
CID 22506510
sodium 4-anilino-2-chlorobenzenesulfonate
CID 88505151
2-diazoniobenzenesulfonate
CID 10535477
CID 50987199
CID 50987199
bis(3-chloro-4-phenylbenzenediazonium);sulfate
CID 87875650
4-anilinobenzenediazonium;dichlorozinc;formaldehyde;chloride
CID 90659613

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-diazoniobenzenesulfonate?
The IUPAC name of 2-anilino-5-diazoniobenzenesulfonate (CID 177466574) is 2-anilino-5-diazoniobenzenesulfonate.
What is the SMILES notation for 2-anilino-5-diazoniobenzenesulfonate?
The canonical SMILES for 2-anilino-5-diazoniobenzenesulfonate is N#[N+]c1ccc(Nc2ccccc2)c(S(=O)(=O)[O-])c1.
What is the InChIKey of 2-anilino-5-diazoniobenzenesulfonate?
The InChIKey is UHACMBKASVKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c13-15-10-6-7-11(12(8-10)19(16,17)18)14-9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 2-anilino-5-diazoniobenzenesulfonate?
2-anilino-5-diazoniobenzenesulfonate has a molecular weight of 275.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-diazoniobenzenesulfonate is sourced from PubChem (CID 177466574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).