N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C18H16F3N3O2S — CID 162601630

IUPACN-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(-c3ccc(C)cc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)24(23-16)14-7-9-15(10-8-14)27(25,26)22-2/h3-11,22H,1-2H3
InChIKeyLVWMAUIDQKSAQG-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.77
Rot. Bonds4

About N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 162601630) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID162601630
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC NameN-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(-c3ccc(C)cc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)24(23-16)14-7-9-15(10-8-14)27(25,26)22-2/h3-11,22H,1-2H3
InChIKeyLVWMAUIDQKSAQG-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 162601630) is N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-n2nc(-c3ccc(C)cc3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is LVWMAUIDQKSAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)24(23-16)14-7-9-15(10-8-14)27(25,26)22-2/h3-11,22H,1-2H3.
What are the key properties of N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 162601630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).