5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C10H8F2N4O3S — CID 116786255

IUPAC5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C10H8F2N4O3S/c11-6-3-5(13)4-7(10(6)12)20(18,19)16-8-1-2-9(17)15-14-8/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyLNAVRBBIOADRHC-UHFFFAOYSA-N
MW302.26 g/mol
LogP0.43
Rot. Bonds3

About 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 116786255) has the molecular formula C10H8F2N4O3S and a molecular weight of 302.26 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID116786255
Molecular FormulaC10H8F2N4O3S
Molecular Weight302.26 g/mol
Exact Mass302.03
IUPAC Name5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C10H8F2N4O3S/c11-6-3-5(13)4-7(10(6)12)20(18,19)16-8-1-2-9(17)15-14-8/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyLNAVRBBIOADRHC-UHFFFAOYSA-N
XLogP0.43
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 50.43
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

4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786258
3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824
2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787114
3-amino-2,5,6-trimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106505457
2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081796
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide
CID 65022889

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 116786255) is 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is LNAVRBBIOADRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O3S/c11-6-3-5(13)4-7(10(6)12)20(18,19)16-8-1-2-9(17)15-14-8/h1-4H,13H2,(H,14,16)(H,15,17).
What are the key properties of 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 302.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116786255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).