benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole

C18H18F3N3O3S — CID 142190526

IUPACbenzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2C)cc1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11F3N2O.C6H7NO2S/c1-17-10(7-11(16-17)12(13,14)15)8-3-5-9(18-2)6-4-8;7-10(8,9)6-4-2-1-3-5-6/h3-7H,1-2H3;1-5H,(H2,7,8,9)
InChIKeyXZLVPKJURKBGTQ-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.45
Rot. Bonds3

About benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole

benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 142190526) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Namebenzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID142190526
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC Namebenzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2C)cc1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11F3N2O.C6H7NO2S/c1-17-10(7-11(16-17)12(13,14)15)8-3-5-9(18-2)6-4-8;7-10(8,9)6-4-2-1-3-5-6/h3-7H,1-2H3;1-5H,(H2,7,8,9)
InChIKeyXZLVPKJURKBGTQ-UHFFFAOYSA-N
XLogP3.45
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67614064
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 57334325
3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315633
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol
CID 54319002
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 21090959
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
CID 22572630
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10403773

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 142190526) is benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole is COc1ccc(-c2cc(C(F)(F)F)nn2C)cc1.NS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is XZLVPKJURKBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O.C6H7NO2S/c1-17-10(7-11(16-17)12(13,14)15)8-3-5-9(18-2)6-4-8;7-10(8,9)6-4-2-1-3-5-6/h3-7H,1-2H3;1-5H,(H2,7,8,9).
What are the key properties of benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 413.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;5-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 142190526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).