N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide

C19H18N4O2S — CID 167866179

IUPACN-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1ccnn1CCc1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-22(18-9-7-17(15-20)8-10-18)26(24,25)19-11-13-21-23(19)14-12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3
InChIKeyPXULRCNCWLVLFC-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.82
Rot. Bonds6

About N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide

N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide (PubChem CID 167866179) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide
PubChem CID167866179
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1ccnn1CCc1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-22(18-9-7-17(15-20)8-10-18)26(24,25)19-11-13-21-23(19)14-12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3
InChIKeyPXULRCNCWLVLFC-UHFFFAOYSA-N
XLogP2.82
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-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-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide (CID 167866179) is N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide is CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccnn1CCc1ccccc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide?
The InChIKey is PXULRCNCWLVLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-22(18-9-7-17(15-20)8-10-18)26(24,25)19-11-13-21-23(19)14-12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide?
N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide has a molecular weight of 366.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 167866179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).