4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C10H9FN4O3S — CID 116786251

IUPAC4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(F)c1
InChIInChI=1S/C10H9FN4O3S/c11-7-5-6(12)1-2-8(7)19(17,18)15-9-3-4-10(16)14-13-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyZSSQROMDJFLACJ-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.29
Rot. Bonds3

About 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 116786251) has the molecular formula C10H9FN4O3S and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID116786251
Molecular FormulaC10H9FN4O3S
Molecular Weight284.27 g/mol
Exact Mass284.04
IUPAC Name4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(F)c1
InChIInChI=1S/C10H9FN4O3S/c11-7-5-6(12)1-2-8(7)19(17,18)15-9-3-4-10(16)14-13-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyZSSQROMDJFLACJ-UHFFFAOYSA-N
XLogP0.29
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786255
4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786258
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787114
3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 116786251) is 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is ZSSQROMDJFLACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3S/c11-7-5-6(12)1-2-8(7)19(17,18)15-9-3-4-10(16)14-13-9/h1-5H,12H2,(H,13,15)(H,14,16).
What are the key properties of 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 284.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116786251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).