4-(hydrazinecarbonyl)benzenesulfonic acid

C7H8N2O4S — CID 15055046

IUPAC4-(hydrazinecarbonyl)benzenesulfonic acid
SMILESNNC(=O)c1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H8N2O4S/c8-9-7(10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,8H2,(H,9,10)(H,11,12,13)
InChIKeyZHYYROCMMVYFQO-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.46
Rot. Bonds2

About 4-(hydrazinecarbonyl)benzenesulfonic acid

4-(hydrazinecarbonyl)benzenesulfonic acid (PubChem CID 15055046) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)benzenesulfonic acid.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)benzenesulfonic acid
PubChem CID15055046
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name4-(hydrazinecarbonyl)benzenesulfonic acid
SMILESNNC(=O)c1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H8N2O4S/c8-9-7(10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,8H2,(H,9,10)(H,11,12,13)
InChIKeyZHYYROCMMVYFQO-UHFFFAOYSA-N
XLogP-0.46
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)benzenesulfonic acid?
The IUPAC name of 4-(hydrazinecarbonyl)benzenesulfonic acid (CID 15055046) is 4-(hydrazinecarbonyl)benzenesulfonic acid.
What is the SMILES notation for 4-(hydrazinecarbonyl)benzenesulfonic acid?
The canonical SMILES for 4-(hydrazinecarbonyl)benzenesulfonic acid is NNC(=O)c1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-(hydrazinecarbonyl)benzenesulfonic acid?
The InChIKey is ZHYYROCMMVYFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c8-9-7(10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,8H2,(H,9,10)(H,11,12,13).
What are the key properties of 4-(hydrazinecarbonyl)benzenesulfonic acid?
4-(hydrazinecarbonyl)benzenesulfonic acid has a molecular weight of 216.22 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)benzenesulfonic acid is sourced from PubChem (CID 15055046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).