2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide

C12H12N4O3S — CID 56689453

IUPAC2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide
SMILESNc1ncccc1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N4O3S/c13-11-10(7-4-8-14-11)12(17)15-16-20(18,19)9-5-2-1-3-6-9/h1-8,16H,(H2,13,14)(H,15,17)
InChIKeyACGOLGYCIPZASA-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.29
Rot. Bonds4

About 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide

2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide (PubChem CID 56689453) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide
PubChem CID56689453
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide
SMILESNc1ncccc1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N4O3S/c13-11-10(7-4-8-14-11)12(17)15-16-20(18,19)9-5-2-1-3-6-9/h1-8,16H,(H2,13,14)(H,15,17)
InChIKeyACGOLGYCIPZASA-UHFFFAOYSA-N
XLogP0.29
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide (CID 56689453) is 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide is Nc1ncccc1C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide?
The InChIKey is ACGOLGYCIPZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c13-11-10(7-4-8-14-11)12(17)15-16-20(18,19)9-5-2-1-3-6-9/h1-8,16H,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide?
2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide has a molecular weight of 292.32 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 56689453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).