4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

C14H12FN5O3S — CID 72928960

IUPAC4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nc(-c2cccnn2)no1
InChIInChI=1S/C14H12FN5O3S/c1-9-7-10(15)4-5-12(9)24(21,22)17-8-13-18-14(20-23-13)11-3-2-6-16-19-11/h2-7,17H,8H2,1H3
InChIKeyWYQFPLKAFYYGDE-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.45
Rot. Bonds5

About 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 72928960) has the molecular formula C14H12FN5O3S and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID72928960
Molecular FormulaC14H12FN5O3S
Molecular Weight349.35 g/mol
Exact Mass349.06
IUPAC Name4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nc(-c2cccnn2)no1
InChIInChI=1S/C14H12FN5O3S/c1-9-7-10(15)4-5-12(9)24(21,22)17-8-13-18-14(20-23-13)11-3-2-6-16-19-11/h2-7,17H,8H2,1H3
InChIKeyWYQFPLKAFYYGDE-UHFFFAOYSA-N
XLogP1.45
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322827
5-fluoro-2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 50944642
2-bromo-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 86959824
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
N-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 81261798
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
2,4-dimethoxy-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322786
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 119102922
3-methyl-4-(pyridazin-3-ylmethylsulfamoyl)benzenecarbothioamide
CID 106998653

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 72928960) is 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1nc(-c2cccnn2)no1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is WYQFPLKAFYYGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O3S/c1-9-7-10(15)4-5-12(9)24(21,22)17-8-13-18-14(20-23-13)11-3-2-6-16-19-11/h2-7,17H,8H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 349.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 72928960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).