N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C14H19N3O2S — CID 8822901

IUPACN-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H19N3O2S/c1-9-7-6-8-10(2)13(9)16-20(18,19)14-11(3)15-17(5)12(14)4/h6-8,16H,1-5H3
InChIKeyKYYIZRAOZGTGEL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.45
Rot. Bonds3

About N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8822901) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8822901
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H19N3O2S/c1-9-7-6-8-10(2)13(9)16-20(18,19)14-11(3)15-17(5)12(14)4/h6-8,16H,1-5H3
InChIKeyKYYIZRAOZGTGEL-UHFFFAOYSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 22775202
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106913044
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
(2,6-dimethylphenyl) 1,3,5-trimethylpyrazole-4-sulfonate
CID 78820767
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 19683131
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8822901) is N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KYYIZRAOZGTGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-7-6-8-10(2)13(9)16-20(18,19)14-11(3)15-17(5)12(14)4/h6-8,16H,1-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8822901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).