N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide

C15H15F4N3O2S — CID 176509338

IUPACN-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cnnc(C)c1
InChIInChI=1S/C15H15F4N3O2S/c1-3-22(25(23,24)13-8-10(2)21-20-9-13)14(15(17,18)19)11-4-6-12(16)7-5-11/h4-9,14H,3H2,1-2H3
InChIKeyIVQCAJCFDFISMI-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.24
Rot. Bonds5

About N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide

N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide (PubChem CID 176509338) has the molecular formula C15H15F4N3O2S and a molecular weight of 377.36 g/mol. Its IUPAC name is N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide
PubChem CID176509338
Molecular FormulaC15H15F4N3O2S
Molecular Weight377.36 g/mol
Exact Mass377.08
IUPAC NameN-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cnnc(C)c1
InChIInChI=1S/C15H15F4N3O2S/c1-3-22(25(23,24)13-8-10(2)21-20-9-13)14(15(17,18)19)11-4-6-12(16)7-5-11/h4-9,14H,3H2,1-2H3
InChIKeyIVQCAJCFDFISMI-UHFFFAOYSA-N
XLogP3.24
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US20250115569, Example 121
CID 176509352
N-[[(1R,3R)-3-[6-(2,6-difluorophenyl)pyridazin-4-yl]-1,2,2-trimethylcyclopentyl]methyl]-N-ethyl-3,3,3-trifluoropropane-1-sulfonamide
CID 118056952
N-fluoro-N-(methoxymethyl)-2-pyridazin-3-ylbenzenesulfonamide
CID 142788147
N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 169932571
N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175581064
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175901472
2-fluoro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089424
2-(aminomethyl)-5-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089464
5-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089472
5-fluoro-2-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089487
3-(aminomethyl)-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089495
5-(aminomethyl)-2,3-difluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide?
The IUPAC name of N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide (CID 176509338) is N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide.
What is the SMILES notation for N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide?
The canonical SMILES for N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide is CCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cnnc(C)c1.
What is the InChIKey of N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide?
The InChIKey is IVQCAJCFDFISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2S/c1-3-22(25(23,24)13-8-10(2)21-20-9-13)14(15(17,18)19)11-4-6-12(16)7-5-11/h4-9,14H,3H2,1-2H3.
What are the key properties of N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide?
N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide has a molecular weight of 377.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridazine-4-sulfonamide is sourced from PubChem (CID 176509338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).