1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole

C13H16N2O2S — CID 19683517

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)n2cccn2)c1C
InChIInChI=1S/C13H16N2O2S/c1-9-8-10(2)12(4)13(11(9)3)18(16,17)15-7-5-6-14-15/h5-8H,1-4H3
InChIKeyXHOMNPBYGMVXTR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.35
Rot. Bonds2

About 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole

1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole (PubChem CID 19683517) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole
PubChem CID19683517
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)n2cccn2)c1C
InChIInChI=1S/C13H16N2O2S/c1-9-8-10(2)12(4)13(11(9)3)18(16,17)15-7-5-6-14-15/h5-8H,1-4H3
InChIKeyXHOMNPBYGMVXTR-UHFFFAOYSA-N
XLogP2.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Naphthalen-2-ylsulfonylpyrazole
CID 6469143
1-Tosylpyrozole
CID 320750
1-(2,5-Dimethylphenyl)sulfonyl-3-methylpyrazole
CID 2143106
1-[(3,4-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 6463098
1-((2,5-dimethylphenyl)sulfonyl)-1H-pyrazole
CID 16004554
2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide
CID 67648877
3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide
CID 67662203
1-(4-Tert-butylphenyl)sulfonylpyrazole
CID 843460
1-[(4-fluoro-3-methylphenyl)sulfonyl]-1H-pyrazole
CID 6462456
1-(mesitylsulfonyl)-3-methyl-1H-pyrazole
CID 976679
3-methyl-1-[(2,3,5,6-tetramethylphenyl)sulfonyl]-1H-pyrazole
CID 2143105
1-(2,4-Dimethylphenyl)sulfonylpyrazole
CID 6467388

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole (CID 19683517) is 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole is Cc1cc(C)c(C)c(S(=O)(=O)n2cccn2)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
The InChIKey is XHOMNPBYGMVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-8-10(2)12(4)13(11(9)3)18(16,17)15-7-5-6-14-15/h5-8H,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole has a molecular weight of 264.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 19683517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).