3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide

C20H23N3O2S — CID 42284724

IUPAC3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C20H23N3O2S/c1-15-10-8-9-13-17(15)22-26(24,25)18-14-23(16-11-6-5-7-12-16)21-19(18)20(2,3)4/h5-14,22H,1-4H3
InChIKeyPJKGVSORWGKKFX-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.28
Rot. Bonds4

About 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide

3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 42284724) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID42284724
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C20H23N3O2S/c1-15-10-8-9-13-17(15)22-26(24,25)18-14-23(16-11-6-5-7-12-16)21-19(18)20(2,3)4/h5-14,22H,1-4H3
InChIKeyPJKGVSORWGKKFX-UHFFFAOYSA-N
XLogP4.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-N-(2-methylphenyl)-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

Related Compounds

3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284771
N-(4-bromo-2-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284781
3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
CID 42284757
3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
CID 42284784
3-tert-butyl-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42344987
3-tert-butyl-N-(2,4-difluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 42344915
3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284776
N-(4-bromo-3-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284783
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578
N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283333

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide (CID 42284724) is 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is PJKGVSORWGKKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-10-8-9-13-17(15)22-26(24,25)18-14-23(16-11-6-5-7-12-16)21-19(18)20(2,3)4/h5-14,22H,1-4H3.
What are the key properties of 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide?
3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).