N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide

C13H13F3N4O2S — CID 75470606

IUPACN-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H13F3N4O2S/c1-23(21,22)20-10-5-3-2-4-9(10)8-17-12-7-6-11(18-19-12)13(14,15)16/h2-7,20H,8H2,1H3,(H,17,19)
InChIKeyKCIUFJQXECCEGA-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.48
Rot. Bonds5

About N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide

N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 75470606) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID75470606
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC NameN-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H13F3N4O2S/c1-23(21,22)20-10-5-3-2-4-9(10)8-17-12-7-6-11(18-19-12)13(14,15)16/h2-7,20H,8H2,1H3,(H,17,19)
InChIKeyKCIUFJQXECCEGA-UHFFFAOYSA-N
XLogP2.48
TPSA83.98 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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 115875586
N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100629105
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 138043417
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
2,5-dimethyl-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]thiophene-3-sulfonamide
CID 133421554
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546361
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
1-[[2-(methanesulfonamido)phenyl]methyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420592
N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide (CID 75470606) is N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is KCIUFJQXECCEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-23(21,22)20-10-5-3-2-4-9(10)8-17-12-7-6-11(18-19-12)13(14,15)16/h2-7,20H,8H2,1H3,(H,17,19).
What are the key properties of N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide?
N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 75470606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).