2-amino-4-methanehydrazonoylbenzenesulfonic acid

C7H9N3O3S — CID 168530964

IUPAC2-amino-4-methanehydrazonoylbenzenesulfonic acid
SMILESNN=Cc1ccc(S(=O)(=O)O)c(N)c1
InChIInChI=1S/C7H9N3O3S/c8-6-3-5(4-10-9)1-2-7(6)14(11,12)13/h1-4H,8-9H2,(H,11,12,13)
InChIKeyGRGMRXWQDONIRF-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.19
Rot. Bonds2

About 2-amino-4-methanehydrazonoylbenzenesulfonic acid

2-amino-4-methanehydrazonoylbenzenesulfonic acid (PubChem CID 168530964) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-amino-4-methanehydrazonoylbenzenesulfonic acid.

Molecular Properties

Compound Name2-amino-4-methanehydrazonoylbenzenesulfonic acid
PubChem CID168530964
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-amino-4-methanehydrazonoylbenzenesulfonic acid
SMILESNN=Cc1ccc(S(=O)(=O)O)c(N)c1
InChIInChI=1S/C7H9N3O3S/c8-6-3-5(4-10-9)1-2-7(6)14(11,12)13/h1-4H,8-9H2,(H,11,12,13)
InChIKeyGRGMRXWQDONIRF-UHFFFAOYSA-N
XLogP-0.19
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-methanehydrazonoylbenzenesulfonic acid
CID 168530932
2-amino-4-phosphonobenzenesulfonic acid
CID 20723683
2-amino-4-methylbenzenesulfonic acid;methanamine
CID 19738432
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
2-amino-4-(aminomethyl)benzenesulfonic acid
CID 18798206
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
4-methanehydrazonoylbenzene-1,3-disulfonic acid
CID 88636165
5-[(Z)-[(E)-[(2Z)-1,2-diamino-2-[(Z)-(4-hydroxy-3-sulfophenyl)methylidenehydrazinylidene]ethylidene]hydrazinylidene]methyl]-2-hydroxybenzenesulfonic acid
CID 135422044
5-[(E)-[(Z)-[(2Z)-1,2-diamino-2-[(E)-(4-hydroxy-3-sulfophenyl)methylidenehydrazinylidene]ethylidene]hydrazinylidene]methyl]-2-hydroxybenzenesulfonic acid
CID 135666308
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
CID 175222790
CID 175222790
2-amino-4-(ethylaminomethyl)benzenesulfonic acid
CID 71408718

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methanehydrazonoylbenzenesulfonic acid?
The IUPAC name of 2-amino-4-methanehydrazonoylbenzenesulfonic acid (CID 168530964) is 2-amino-4-methanehydrazonoylbenzenesulfonic acid.
What is the SMILES notation for 2-amino-4-methanehydrazonoylbenzenesulfonic acid?
The canonical SMILES for 2-amino-4-methanehydrazonoylbenzenesulfonic acid is NN=Cc1ccc(S(=O)(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-methanehydrazonoylbenzenesulfonic acid?
The InChIKey is GRGMRXWQDONIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-6-3-5(4-10-9)1-2-7(6)14(11,12)13/h1-4H,8-9H2,(H,11,12,13).
What are the key properties of 2-amino-4-methanehydrazonoylbenzenesulfonic acid?
2-amino-4-methanehydrazonoylbenzenesulfonic acid has a molecular weight of 215.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methanehydrazonoylbenzenesulfonic acid is sourced from PubChem (CID 168530964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).