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

C18H19N3O2S2 — CID 22775217

IUPAC3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H19N3O2S2/c1-13-18(14(2)21(19-13)15-9-5-4-6-10-15)25(22,23)20-16-11-7-8-12-17(16)24-3/h4-12,20H,1-3H3
InChIKeyJSHPHAFAPMHPAX-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.01
Rot. Bonds5

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

3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 22775217) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID22775217
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H19N3O2S2/c1-13-18(14(2)21(19-13)15-9-5-4-6-10-15)25(22,23)20-16-11-7-8-12-17(16)24-3/h4-12,20H,1-3H3
InChIKeyJSHPHAFAPMHPAX-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-(2-methylsulfanylphenyl)-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

N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773683
N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773697
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773621
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989
N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774641
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17376527
N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075803
ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22775153
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
N-[4-(dimethylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774990
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide (CID 22775217) is 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide is CSc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is JSHPHAFAPMHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-13-18(14(2)21(19-13)15-9-5-4-6-10-15)25(22,23)20-16-11-7-8-12-17(16)24-3/h4-12,20H,1-3H3.
What are the key properties of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22775217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).