N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C19H19N3O3S — CID 1246418

IUPACN-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H19N3O3S/c1-13-19(14(2)22(20-13)16-9-5-4-6-10-16)26(24,25)21-18-12-8-7-11-17(18)15(3)23/h4-12,21H,1-3H3
InChIKeyBBYWSZFEZZKLHC-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.49
Rot. Bonds5

About N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 1246418) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID1246418
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H19N3O3S/c1-13-19(14(2)22(20-13)16-9-5-4-6-10-16)26(24,25)21-18-12-8-7-11-17(18)15(3)23/h4-12,21H,1-3H3
InChIKeyBBYWSZFEZZKLHC-UHFFFAOYSA-N
XLogP3.49
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide 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-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 1246418) is N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is BBYWSZFEZZKLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-19(14(2)22(20-13)16-9-5-4-6-10-16)26(24,25)21-18-12-8-7-11-17(18)15(3)23/h4-12,21H,1-3H3.
What are the key properties of N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 1246418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).