N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide

C14H15F3N4O2S — CID 113048992

IUPACN-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C14H15F3N4O2S/c1-2-8-24(22,23)21-13-7-6-12(19-20-13)18-11-5-3-4-10(9-11)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyYWLZQTGVNHTOMD-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.39
Rot. Bonds6

About N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide

N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113048992) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113048992
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC NameN-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C14H15F3N4O2S/c1-2-8-24(22,23)21-13-7-6-12(19-20-13)18-11-5-3-4-10(9-11)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyYWLZQTGVNHTOMD-UHFFFAOYSA-N
XLogP3.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113047510
1-bromo-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 83092690
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048973

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide (CID 113048992) is N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is YWLZQTGVNHTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-2-8-24(22,23)21-13-7-6-12(19-20-13)18-11-5-3-4-10(9-11)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide?
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 360.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 113048992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).