2-amino-5-(hydroxyamino)benzenesulfonic acid

C6H8N2O4S — CID 89039336

IUPAC2-amino-5-(hydroxyamino)benzenesulfonic acid
SMILESNc1ccc(NO)cc1S(=O)(=O)O
InChIInChI=1S/C6H8N2O4S/c7-5-2-1-4(8-9)3-6(5)13(10,11)12/h1-3,8-9H,7H2,(H,10,11,12)
InChIKeyALXKPOVKVSDGDT-UHFFFAOYSA-N
MW204.21 g/mol
LogP0.32
Rot. Bonds2

About 2-amino-5-(hydroxyamino)benzenesulfonic acid

2-amino-5-(hydroxyamino)benzenesulfonic acid (PubChem CID 89039336) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-amino-5-(hydroxyamino)benzenesulfonic acid.

Molecular Properties

Compound Name2-amino-5-(hydroxyamino)benzenesulfonic acid
PubChem CID89039336
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Name2-amino-5-(hydroxyamino)benzenesulfonic acid
SMILESNc1ccc(NO)cc1S(=O)(=O)O
InChIInChI=1S/C6H8N2O4S/c7-5-2-1-4(8-9)3-6(5)13(10,11)12/h1-3,8-9H,7H2,(H,10,11,12)
InChIKeyALXKPOVKVSDGDT-UHFFFAOYSA-N
XLogP0.32
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-5-(4-nitroanilino)benzenesulfonic acid
CID 5483440
2-amino-5-iodobenzenesulfonic acid
CID 11087848
5-[(4-acetylbenzoyl)amino]-2-aminobenzenesulfonic acid
CID 118861935
2-amino-5-(triazin-4-ylamino)benzenesulfonic acid
CID 88784839
2-amino-5-[4-amino-3-(trihydroxy-λ4-sulfanyl)phenyl]benzenesulfonic acid
CID 59059894
2-amino-5-ethylbenzenesulfonic acid
CID 14819008
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
2-[5-amino-2-(4-amino-3-sulfoanilino)phenyl]sulfonylacetic acid
CID 21285176
2-amino-5-[[3-(benzenesulfonyl)-3-bromopropanoyl]amino]benzenesulfonic acid
CID 88742251
2-amino-5-(3-sulfophenyl)benzenesulfonic acid
CID 152510687
2-amino-4-(1-hydroxyethylamino)benzenesulfonic acid
CID 88827678
2,5-diaminobenzenesulfonic acid;2,5-diaminobenzoic acid;ethane
CID 144898588

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(hydroxyamino)benzenesulfonic acid?
The IUPAC name of 2-amino-5-(hydroxyamino)benzenesulfonic acid (CID 89039336) is 2-amino-5-(hydroxyamino)benzenesulfonic acid.
What is the SMILES notation for 2-amino-5-(hydroxyamino)benzenesulfonic acid?
The canonical SMILES for 2-amino-5-(hydroxyamino)benzenesulfonic acid is Nc1ccc(NO)cc1S(=O)(=O)O.
What is the InChIKey of 2-amino-5-(hydroxyamino)benzenesulfonic acid?
The InChIKey is ALXKPOVKVSDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c7-5-2-1-4(8-9)3-6(5)13(10,11)12/h1-3,8-9H,7H2,(H,10,11,12).
What are the key properties of 2-amino-5-(hydroxyamino)benzenesulfonic acid?
2-amino-5-(hydroxyamino)benzenesulfonic acid has a molecular weight of 204.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(hydroxyamino)benzenesulfonic acid is sourced from PubChem (CID 89039336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).