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

C16H15F3N6O2S — CID 155342881

IUPACN-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C16H15F3N6O2S/c1-20-28(26,27)10-3-4-12(11(7-10)13-8-25(2)9-21-13)22-15-6-5-14(23-24-15)16(17,18)19/h3-9,20H,1-2H3,(H,22,24)
InChIKeyRSGMFMNGIFNZEG-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.55
Rot. Bonds5

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

N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide (PubChem CID 155342881) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
PubChem CID155342881
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC NameN-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C16H15F3N6O2S/c1-20-28(26,27)10-3-4-12(11(7-10)13-8-25(2)9-21-13)22-15-6-5-14(23-24-15)16(17,18)19/h3-9,20H,1-2H3,(H,22,24)
InChIKeyRSGMFMNGIFNZEG-UHFFFAOYSA-N
XLogP2.55
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide (CID 155342881) is N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
The InChIKey is RSGMFMNGIFNZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c1-20-28(26,27)10-3-4-12(11(7-10)13-8-25(2)9-21-13)22-15-6-5-14(23-24-15)16(17,18)19/h3-9,20H,1-2H3,(H,22,24).
What are the key properties of N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide has a molecular weight of 412.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 155342881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).