4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

C17H14FN3O4S2 — CID 8523305

IUPAC4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C17H14FN3O4S2/c1-26(22,23)17-11-10-16(19-20-17)12-2-6-14(7-3-12)21-27(24,25)15-8-4-13(18)5-9-15/h2-11,21H,1H3
InChIKeyGFHUSHXONZLSSR-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.49
Rot. Bonds5

About 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 8523305) has the molecular formula C17H14FN3O4S2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID8523305
Molecular FormulaC17H14FN3O4S2
Molecular Weight407.45 g/mol
Exact Mass407.04
IUPAC Name4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C17H14FN3O4S2/c1-26(22,23)17-11-10-16(19-20-17)12-2-6-14(7-3-12)21-27(24,25)15-8-4-13(18)5-9-15/h2-11,21H,1H3
InChIKeyGFHUSHXONZLSSR-UHFFFAOYSA-N
XLogP2.49
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159305
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 8523310
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043
3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569044
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 41159369
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
CID 41159413
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
CID 41159416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 8523305) is 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1.
What is the InChIKey of 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is GFHUSHXONZLSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4S2/c1-26(22,23)17-11-10-16(19-20-17)12-2-6-14(7-3-12)21-27(24,25)15-8-4-13(18)5-9-15/h2-11,21H,1H3.
What are the key properties of 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 407.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8523305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).