4-(aminodiazenyl)benzene-1,2-disulfonic acid

C6H7N3O6S2 — CID 154203032

IUPAC4-(aminodiazenyl)benzene-1,2-disulfonic acid
SMILESN/N=N/c1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1
InChIInChI=1S/C6H7N3O6S2/c7-9-8-4-1-2-5(16(10,11)12)6(3-4)17(13,14)15/h1-3H,(H2,7,8)(H,10,11,12)(H,13,14,15)
InChIKeyVDPZMZXUNTZBAX-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.14
Rot. Bonds3

About 4-(aminodiazenyl)benzene-1,2-disulfonic acid

4-(aminodiazenyl)benzene-1,2-disulfonic acid (PubChem CID 154203032) has the molecular formula C6H7N3O6S2 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(aminodiazenyl)benzene-1,2-disulfonic acid.

Molecular Properties

Compound Name4-(aminodiazenyl)benzene-1,2-disulfonic acid
PubChem CID154203032
Molecular FormulaC6H7N3O6S2
Molecular Weight281.27 g/mol
Exact Mass280.98
IUPAC Name4-(aminodiazenyl)benzene-1,2-disulfonic acid
SMILESN/N=N/c1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1
InChIInChI=1S/C6H7N3O6S2/c7-9-8-4-1-2-5(16(10,11)12)6(3-4)17(13,14)15/h1-3H,(H2,7,8)(H,10,11,12)(H,13,14,15)
InChIKeyVDPZMZXUNTZBAX-UHFFFAOYSA-N
XLogP0.14
TPSA159.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.14
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(aminodiazenyl)benzene-1,2-disulfonic acid
CID 88516198
2-(2-amino-1-chloro-2-oxoethyl)-5-[[4-(2-amino-1-chloro-2-oxoethyl)-3-sulfophenyl]diazenyl]benzenesulfonic acid
CID 123402790
disodium bis(4-[(4-amino-3-sulfophenyl)diazenyl]benzenesulfonate)
CID 141147089
5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid
CID 100952538
disodium;N-[4-[[4-(1-oxidoethylideneamino)-3-sulfophenyl]diazenyl]-2-sulfophenyl]ethanimidate
CID 122404064
2-hydroxy-4-isocyanatobenzenesulfonic acid
CID 169354212
2,5-dinitrosobenzenesulfonic acid
CID 129302299
5-[(4-ethylphenyl)diazenyl]-2-methylbenzenesulfonic acid
CID 59944397
2-[(2-chloroacetyl)amino]-5-[[4-[(2-chloroacetyl)amino]-3-sulfophenyl]diazenyl]benzenesulfonic acid
CID 71403677
2-[(2-sulfanylacetyl)amino]-5-[[4-[(2-sulfanylacetyl)amino]-3-sulfophenyl]diazenyl]benzenesulfonic acid
CID 56940697
5-amino-8-[[4-[(Z)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 125125346
tetrasodium bis(2-carboxy-4-[[4-[4-[(3-carboxy-4-oxidophenyl)diazenyl]-2-sulfophenyl]-3-sulfophenyl]diazenyl]phenolate)
CID 157284696

Frequently Asked Questions

What is the IUPAC name of 4-(aminodiazenyl)benzene-1,2-disulfonic acid?
The IUPAC name of 4-(aminodiazenyl)benzene-1,2-disulfonic acid (CID 154203032) is 4-(aminodiazenyl)benzene-1,2-disulfonic acid.
What is the SMILES notation for 4-(aminodiazenyl)benzene-1,2-disulfonic acid?
The canonical SMILES for 4-(aminodiazenyl)benzene-1,2-disulfonic acid is N/N=N/c1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1.
What is the InChIKey of 4-(aminodiazenyl)benzene-1,2-disulfonic acid?
The InChIKey is VDPZMZXUNTZBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O6S2/c7-9-8-4-1-2-5(16(10,11)12)6(3-4)17(13,14)15/h1-3H,(H2,7,8)(H,10,11,12)(H,13,14,15).
What are the key properties of 4-(aminodiazenyl)benzene-1,2-disulfonic acid?
4-(aminodiazenyl)benzene-1,2-disulfonic acid has a molecular weight of 281.27 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminodiazenyl)benzene-1,2-disulfonic acid is sourced from PubChem (CID 154203032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).