1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole

C14H18N2O2S — CID 6462515

IUPAC1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(C)c(C)c2C)cc1C
InChIInChI=1S/C14H18N2O2S/c1-9-6-7-14(8-10(9)2)19(17,18)16-13(5)11(3)12(4)15-16/h6-8H,1-5H3
InChIKeyYCMZAGTXOAVMCY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.66
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole

1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole (PubChem CID 6462515) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole
PubChem CID6462515
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(C)c(C)c2C)cc1C
InChIInChI=1S/C14H18N2O2S/c1-9-6-7-14(8-10(9)2)19(17,18)16-13(5)11(3)12(4)15-16/h6-8H,1-5H3
InChIKeyYCMZAGTXOAVMCY-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole (CID 6462515) is 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole is Cc1ccc(S(=O)(=O)n2nc(C)c(C)c2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole?
The InChIKey is YCMZAGTXOAVMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-6-7-14(8-10(9)2)19(17,18)16-13(5)11(3)12(4)15-16/h6-8H,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole?
1-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole 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-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethylpyrazole is sourced from PubChem (CID 6462515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).