N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide

C17H14F3N3O3S2 — CID 16905805

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O3S2/c18-17(19,20)12-4-1-2-6-15(12)28(25,26)21-9-10-23-16(24)8-7-13(22-23)14-5-3-11-27-14/h1-8,11,21H,9-10H2
InChIKeyDWTLBWKUEOIZCU-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 16905805) has the molecular formula C17H14F3N3O3S2 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID16905805
Molecular FormulaC17H14F3N3O3S2
Molecular Weight429.45 g/mol
Exact Mass429.04
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O3S2/c18-17(19,20)12-4-1-2-6-15(12)28(25,26)21-9-10-23-16(24)8-7-13(22-23)14-5-3-11-27-14/h1-8,11,21H,9-10H2
InChIKeyDWTLBWKUEOIZCU-UHFFFAOYSA-N
XLogP2.97
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 25882031
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 16905819
5-ethyl-N-{3-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}thiophene-2-sulfonamide
CID 25881960
2-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882023
4-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882024
2,5-difluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882025
N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}-2-(trifluoromethyl)benzene-1-sulfonamide
CID 25882032
N-(3-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)propyl)thiophene-2-sulfonamide
CID 42138872
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-1-phenylmethanesulfonamide
CID 16905823
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-phenylethanesulfonamide
CID 16905827
2-[3-(5-methyl-2-thienylsulfonylamino)propyl]-6-phenyl-3(2H)-pyridazinone
CID 25881873
2-(2-(4-((5-methylthiophen-2-yl)sulfonyl)piperazin-1-yl)ethyl)-6-phenylpyridazin-3(2H)-one
CID 30864689

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 16905805) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DWTLBWKUEOIZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S2/c18-17(19,20)12-4-1-2-6-15(12)28(25,26)21-9-10-23-16(24)8-7-13(22-23)14-5-3-11-27-14/h1-8,11,21H,9-10H2.
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 429.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 16905805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).