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

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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).