4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C13H13F3N4O2S — CID 122157256

IUPAC4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)11-5-6-12(20-19-11)18-8-7-9-1-3-10(4-2-9)23(17,21)22/h1-6H,7-8H2,(H,18,20)(H2,17,21,22)
InChIKeyPSWMTGKSDMISBM-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.80
Rot. Bonds5

About 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 122157256) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID122157256
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC Name4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)11-5-6-12(20-19-11)18-8-7-9-1-3-10(4-2-9)23(17,21)22/h1-6H,7-8H2,(H,18,20)(H2,17,21,22)
InChIKeyPSWMTGKSDMISBM-UHFFFAOYSA-N
XLogP1.80
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 113028955
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880354
4-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]ethyl]benzenesulfonamide
CID 55346619
4-[2-(3,3-dimethylbutylamino)ethyl]benzenesulfonamide
CID 60687315
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 122157256) is 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)nn2)cc1.
What is the InChIKey of 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is PSWMTGKSDMISBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c14-13(15,16)11-5-6-12(20-19-11)18-8-7-9-1-3-10(4-2-9)23(17,21)22/h1-6H,7-8H2,(H,18,20)(H2,17,21,22).
What are the key properties of 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122157256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).