N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H14F3N3O4S2 — CID 41247052

IUPACN-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O4S2/c18-17(19,20)27-12-3-5-13(6-4-12)29(24,25)21-9-10-26-16-8-7-14(22-23-16)15-2-1-11-28-15/h1-8,11,21H,9-10H2
InChIKeyTVMBHPYDZDCGRW-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 41247052) has the molecular formula C17H14F3N3O4S2 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID41247052
Molecular FormulaC17H14F3N3O4S2
Molecular Weight445.44 g/mol
Exact Mass445.04
IUPAC NameN-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O4S2/c18-17(19,20)27-12-3-5-13(6-4-12)29(24,25)21-9-10-26-16-8-7-14(22-23-16)15-2-1-11-28-15/h1-8,11,21H,9-10H2
InChIKeyTVMBHPYDZDCGRW-UHFFFAOYSA-N
XLogP3.46
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41247032
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246988
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
CID 41247021
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 41246550
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41349150
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 41247052) is N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is TVMBHPYDZDCGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4S2/c18-17(19,20)27-12-3-5-13(6-4-12)29(24,25)21-9-10-26-16-8-7-14(22-23-16)15-2-1-11-28-15/h1-8,11,21H,9-10H2.
What are the key properties of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 445.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 41247052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).