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

C16H23N3O2S — CID 19682095

IUPAC3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H23N3O2S/c1-6-16(4,5)18-22(20,21)15-12(2)17-19(13(15)3)14-10-8-7-9-11-14/h7-11,18H,6H2,1-5H3
InChIKeyGAUNVAKIOSIGCQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.96
Rot. Bonds5

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

3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 19682095) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
PubChem CID19682095
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H23N3O2S/c1-6-16(4,5)18-22(20,21)15-12(2)17-19(13(15)3)14-10-8-7-9-11-14/h7-11,18H,6H2,1-5H3
InChIKeyGAUNVAKIOSIGCQ-UHFFFAOYSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 53075852
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22772410
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 19681094
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842
2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide
CID 167785658
ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22775153

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide (CID 19682095) is 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide is CCC(C)(C)NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is GAUNVAKIOSIGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-6-16(4,5)18-22(20,21)15-12(2)17-19(13(15)3)14-10-8-7-9-11-14/h7-11,18H,6H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 19682095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).