N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide

C19H18FN3O5S2 — CID 41159369

IUPACN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc2)nn1
InChIInChI=1S/C19H18FN3O5S2/c1-3-29(24,25)19-11-9-17(21-22-19)13-4-6-14(7-5-13)23-30(26,27)15-8-10-18(28-2)16(20)12-15/h4-12,23H,3H2,1-2H3
InChIKeyUWRKAZDOFKEOII-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.89
Rot. Bonds7

About N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 41159369) has the molecular formula C19H18FN3O5S2 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID41159369
Molecular FormulaC19H18FN3O5S2
Molecular Weight451.50 g/mol
Exact Mass451.07
IUPAC NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc2)nn1
InChIInChI=1S/C19H18FN3O5S2/c1-3-29(24,25)19-11-9-17(21-22-19)13-4-6-14(7-5-13)23-30(26,27)15-8-10-18(28-2)16(20)12-15/h4-12,23H,3H2,1-2H3
InChIKeyUWRKAZDOFKEOII-UHFFFAOYSA-N
XLogP2.89
TPSA115.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
CID 41159413
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
CID 41159416
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159305
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159417
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 41159369) is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide is CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc2)nn1.
What is the InChIKey of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is UWRKAZDOFKEOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O5S2/c1-3-29(24,25)19-11-9-17(21-22-19)13-4-6-14(7-5-13)23-30(26,27)15-8-10-18(28-2)16(20)12-15/h4-12,23H,3H2,1-2H3.
What are the key properties of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 451.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 41159369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).