6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide

C16H15F3N6O2S — CID 155656018

IUPAC6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1S(N)(=O)=O
InChIInChI=1S/C16H15F3N6O2S/c1-9-3-4-10(22-13-6-5-12(23-24-13)16(17,18)19)14(15(9)28(20,26)27)11-7-25(2)8-21-11/h3-8H,1-2H3,(H,22,24)(H2,20,26,27)
InChIKeyPOYRKSHDSKGQEV-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.60
Rot. Bonds4

About 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide

6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide (PubChem CID 155656018) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
PubChem CID155656018
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC Name6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1S(N)(=O)=O
InChIInChI=1S/C16H15F3N6O2S/c1-9-3-4-10(22-13-6-5-12(23-24-13)16(17,18)19)14(15(9)28(20,26)27)11-7-25(2)8-21-11/h3-8H,1-2H3,(H,22,24)(H2,20,26,27)
InChIKeyPOYRKSHDSKGQEV-UHFFFAOYSA-N
XLogP2.60
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[[2-[[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 145900919
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
2,4,6-trimethyl-N-(3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-yl)benzenesulfonamide
CID 17589810
N-[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155516173
N-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 6409908
N-[1,2,4]triazolo[4,3-a]pyridin-8-yl-2-(trifluoromethyl)benzenesulfonamide
CID 53166622
Sdccgsbi-0658975.P001
CID 53166639
N-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzenesulfonamide
CID 132463728
3-[[2-Amino-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide
CID 177698439
4-({5-Methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl}amino)benzenesulfonamide
CID 11385337
3-({5-Methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl}amino)benzenesulfonamide
CID 11442254
N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide
CID 20595885

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
The IUPAC name of 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide (CID 155656018) is 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide is Cc1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1S(N)(=O)=O.
What is the InChIKey of 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
The InChIKey is POYRKSHDSKGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c1-9-3-4-10(22-13-6-5-12(23-24-13)16(17,18)19)14(15(9)28(20,26)27)11-7-25(2)8-21-11/h3-8H,1-2H3,(H,22,24)(H2,20,26,27).
What are the key properties of 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide?
6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide has a molecular weight of 412.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylimidazol-4-yl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 155656018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).