N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

C14H9BrFN3O4S — CID 20927031

IUPACN-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)o2)n[nH]1
InChIInChI=1S/C14H9BrFN3O4S/c15-8-1-2-10(9(16)7-8)19-24(21,22)14-6-4-12(23-14)11-3-5-13(20)18-17-11/h1-7,19H,(H,18,20)
InChIKeyZUIJGAAXESEEDV-UHFFFAOYSA-N
MW414.21 g/mol
LogP2.73
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (PubChem CID 20927031) has the molecular formula C14H9BrFN3O4S and a molecular weight of 414.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
PubChem CID20927031
Molecular FormulaC14H9BrFN3O4S
Molecular Weight414.21 g/mol
Exact Mass412.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)o2)n[nH]1
InChIInChI=1S/C14H9BrFN3O4S/c15-8-1-2-10(9(16)7-8)19-24(21,22)14-6-4-12(23-14)11-3-5-13(20)18-17-11/h1-7,19H,(H,18,20)
InChIKeyZUIJGAAXESEEDV-UHFFFAOYSA-N
XLogP2.73
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927054
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801
N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329425
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
N-(4-bromo-2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773615
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
CID 53175599
N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057098
N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329422

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (CID 20927031) is N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)o2)n[nH]1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The InChIKey is ZUIJGAAXESEEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O4S/c15-8-1-2-10(9(16)7-8)19-24(21,22)14-6-4-12(23-14)11-3-5-13(20)18-17-11/h1-7,19H,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide has a molecular weight of 414.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 20927031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).