N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide

C13H13F3N4O2S — CID 75437937

IUPACN-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C13H13F3N4O2S/c1-17-23(21,22)10-4-2-3-9(7-10)8-18-12-6-5-11(19-20-12)13(14,15)16/h2-7,17H,8H2,1H3,(H,18,20)
InChIKeyYZYVJUOMXUHLBG-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide

N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide (PubChem CID 75437937) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide
PubChem CID75437937
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC NameN-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C13H13F3N4O2S/c1-17-23(21,22)10-4-2-3-9(7-10)8-18-12-6-5-11(19-20-12)13(14,15)16/h2-7,17H,8H2,1H3,(H,18,20)
InChIKeyYZYVJUOMXUHLBG-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide (CID 75437937) is N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(CNc2ccc(C(F)(F)F)nn2)c1.
What is the InChIKey of N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide?
The InChIKey is YZYVJUOMXUHLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-17-23(21,22)10-4-2-3-9(7-10)8-18-12-6-5-11(19-20-12)13(14,15)16/h2-7,17H,8H2,1H3,(H,18,20).
What are the key properties of N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide?
N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 75437937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).