5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C15H10F3N3O3S2 — CID 46280110

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)s2)n[nH]1
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)9-2-1-3-10(8-9)21-26(23,24)14-7-5-12(25-14)11-4-6-13(22)20-19-11/h1-8,21H,(H,20,22)
InChIKeyWMZIETAYTYJYFF-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.32
Rot. Bonds4

About 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 46280110) has the molecular formula C15H10F3N3O3S2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID46280110
Molecular FormulaC15H10F3N3O3S2
Molecular Weight401.39 g/mol
Exact Mass401.01
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)s2)n[nH]1
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)9-2-1-3-10(8-9)21-26(23,24)14-7-5-12(25-14)11-4-6-13(22)20-19-11/h1-8,21H,(H,20,22)
InChIKeyWMZIETAYTYJYFF-UHFFFAOYSA-N
XLogP3.32
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939814
N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-(5,6,7,8-tetrahydronaphthalen-1-YL)thiophene-2-sulfonamide
CID 20923078
5-chloro-N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)thiophene-2-sulfonamide
CID 18588420
N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 45106660
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 45106670
N-(3-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923017
N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923059
N-(4-fluoro-2-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923065
N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 69044991
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20922995
N-(2,4-difluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923010

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 46280110) is 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WMZIETAYTYJYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S2/c16-15(17,18)9-2-1-3-10(8-9)21-26(23,24)14-7-5-12(25-14)11-4-6-13(22)20-19-11/h1-8,21H,(H,20,22).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 401.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46280110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).