4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid

C7H9N3O6S2 — CID 91010096

IUPAC4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)C=NNNc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H9N3O6S2/c11-17(12,13)5-8-10-9-6-1-3-7(4-2-6)18(14,15)16/h1-5,9-10H,(H,11,12,13)(H,14,15,16)
InChIKeyLWYCIQACGLRUGA-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.32
Rot. Bonds5

About 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid

4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid (PubChem CID 91010096) has the molecular formula C7H9N3O6S2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid
PubChem CID91010096
Molecular FormulaC7H9N3O6S2
Molecular Weight295.30 g/mol
Exact Mass294.99
IUPAC Name4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)C=NNNc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H9N3O6S2/c11-17(12,13)5-8-10-9-6-1-3-7(4-2-6)18(14,15)16/h1-5,9-10H,(H,11,12,13)(H,14,15,16)
InChIKeyLWYCIQACGLRUGA-UHFFFAOYSA-N
XLogP-0.32
TPSA145.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-acetamido-2-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid
CID 90923415
Sodium 4-sulfophenylurea
CID 87590877
(4-sulfoanilino)azanium chloride
CID 11172143
4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt
CID 166600375
4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 54536632
4-acetamidobenzenesulfonic acid chloride
CID 53446633
4-(cyclohexylamino)benzenesulfonic acid
CID 141225645
4-(ethanethioylamino)benzenesulfonic acid
CID 22955667
sodium 4,6-bis(4-sulfoanilino)-1,3,5-triazin-2-olate
CID 101326523
4-(4-sulfophenyl)benzenesulfonic acid;dihydrochloride
CID 88734804
sodium 4-(4-sulfophenyl)benzenesulfonic acid
CID 3084525
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255

Frequently Asked Questions

What is the IUPAC name of 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid?
The IUPAC name of 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid (CID 91010096) is 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid.
What is the SMILES notation for 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid?
The canonical SMILES for 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid is O=S(=O)(O)C=NNNc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid?
The InChIKey is LWYCIQACGLRUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O6S2/c11-17(12,13)5-8-10-9-6-1-3-7(4-2-6)18(14,15)16/h1-5,9-10H,(H,11,12,13)(H,14,15,16).
What are the key properties of 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid?
4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid has a molecular weight of 295.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid is sourced from PubChem (CID 91010096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).