4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C14H15F3N4O2S — CID 133433693

IUPAC4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C14H15F3N4O2S/c1-9(10-3-5-11(6-4-10)24(18,22)23)21(2)13-8-7-12(19-20-13)14(15,16)17/h3-9H,1-2H3,(H2,18,22,23)
InChIKeyONVYFGHIWRTSBP-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.34
Rot. Bonds4

About 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 133433693) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID133433693
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC Name4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C14H15F3N4O2S/c1-9(10-3-5-11(6-4-10)24(18,22)23)21(2)13-8-7-12(19-20-13)14(15,16)17/h3-9H,1-2H3,(H2,18,22,23)
InChIKeyONVYFGHIWRTSBP-UHFFFAOYSA-N
XLogP2.34
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol
CID 115875730
4-[1-[1,3-benzoxazol-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 51086703
1-methyl-1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 94117936
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 133433679
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 51226899
4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
CID 113337645
N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46699399
4-N,4-N-diethyl-1-N-methyl-1-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide
CID 30963940

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 133433693) is 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is ONVYFGHIWRTSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-9(10-3-5-11(6-4-10)24(18,22)23)21(2)13-8-7-12(19-20-13)14(15,16)17/h3-9H,1-2H3,(H2,18,22,23).
What are the key properties of 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 360.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133433693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).