1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide

C16H22FN3O2S — CID 53075852

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C16H22FN3O2S/c1-6-16(4,5)19-23(21,22)15-11(2)18-20(12(15)3)14-9-7-13(17)8-10-14/h7-10,19H,6H2,1-5H3
InChIKeyVUNUSFDEKZDXPS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.10
Rot. Bonds5

About 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide

1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 53075852) has the molecular formula C16H22FN3O2S and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID53075852
Molecular FormulaC16H22FN3O2S
Molecular Weight339.44 g/mol
Exact Mass339.14
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C16H22FN3O2S/c1-6-16(4,5)19-23(21,22)15-11(2)18-20(12(15)3)14-9-7-13(17)8-10-14/h7-10,19H,6H2,1-5H3
InChIKeyVUNUSFDEKZDXPS-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-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

3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075803
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonic acid
CID 87530789
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-(3-bromophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075881
N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075839
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
CID 53075855
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
N-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53076151
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 7028073
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide (CID 53075852) is 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide is CCC(C)(C)NS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is VUNUSFDEKZDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2S/c1-6-16(4,5)19-23(21,22)15-11(2)18-20(12(15)3)14-9-7-13(17)8-10-14/h7-10,19H,6H2,1-5H3.
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 339.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 53075852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).