4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C10H10N4O3S — CID 102491422

IUPAC4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C10H10N4O3S/c11-7-1-3-8(4-2-7)18(16,17)14-9-5-6-10(15)13-12-9/h1-6H,11H2,(H,12,14)(H,13,15)
InChIKeyNUMJJOLESKWDKU-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.15
Rot. Bonds3

About 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 102491422) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID102491422
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C10H10N4O3S/c11-7-1-3-8(4-2-7)18(16,17)14-9-5-6-10(15)13-12-9/h1-6H,11H2,(H,12,14)(H,13,15)
InChIKeyNUMJJOLESKWDKU-UHFFFAOYSA-N
XLogP0.15
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 102491422) is 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is NUMJJOLESKWDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c11-7-1-3-8(4-2-7)18(16,17)14-9-5-6-10(15)13-12-9/h1-6H,11H2,(H,12,14)(H,13,15).
What are the key properties of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 266.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 102491422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).