1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole

C14H18N2O2S — CID 19683516

IUPAC1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole
SMILESCc1c(C)c(C)c(S(=O)(=O)n2cccn2)c(C)c1C
InChIInChI=1S/C14H18N2O2S/c1-9-10(2)12(4)14(13(5)11(9)3)19(17,18)16-8-6-7-15-16/h6-8H,1-5H3
InChIKeyFPYOWUYRKFCNMN-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.66
Rot. Bonds2

About 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole

1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole (PubChem CID 19683516) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole
PubChem CID19683516
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole
SMILESCc1c(C)c(C)c(S(=O)(=O)n2cccn2)c(C)c1C
InChIInChI=1S/C14H18N2O2S/c1-9-10(2)12(4)14(13(5)11(9)3)19(17,18)16-8-6-7-15-16/h6-8H,1-5H3
InChIKeyFPYOWUYRKFCNMN-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3,5-dimethyl-1-[(2,4,5-trimethylphenyl)sulfonyl]-1H-pyrazole
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3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole
CID 802226
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
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
5-iodo-1-tosyl-1H-pyrazole
CID 15932794
2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide
CID 67648877
3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide
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1-(4-Tert-butylphenyl)sulfonylpyrazole
CID 843460

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole (CID 19683516) is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole is Cc1c(C)c(C)c(S(=O)(=O)n2cccn2)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
The InChIKey is FPYOWUYRKFCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-10(2)12(4)14(13(5)11(9)3)19(17,18)16-8-6-7-15-16/h6-8H,1-5H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole has a molecular weight of 278.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 19683516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).