1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole

C11H11BrN2O2S — CID 39730559

IUPAC1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)c(S(=O)(=O)n2cccn2)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-8-6-9(2)11(7-10(8)12)17(15,16)14-5-3-4-13-14/h3-7H,1-2H3
InChIKeyHHZKFXHNFQVHDZ-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.50
Rot. Bonds2

About 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole

1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole (PubChem CID 39730559) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole
PubChem CID39730559
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)c(S(=O)(=O)n2cccn2)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-8-6-9(2)11(7-10(8)12)17(15,16)14-5-3-4-13-14/h3-7H,1-2H3
InChIKeyHHZKFXHNFQVHDZ-UHFFFAOYSA-N
XLogP2.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Tosylpyrozole
CID 320750
4-bromo-1-(mesitylsulfonyl)-1H-pyrazole
CID 898254
4-bromo-1-tosyl-1H-pyrazole
CID 14041591
1-(2,4-Dimethylphenyl)sulfonylpyrazole
CID 6467388
1-(mesitylsulfonyl)-1H-pyrazole
CID 15943927
1-(2-Methylphenyl)sulfonylpyrazole
CID 69830310
3-Bromo-1-(toluene-4-sulfonyl)-1H-pyrazole
CID 97354650
5-Bromo-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
CID 151733002
4-Bromo-1-(4-ethylphenyl)sulfonylpyrazole
CID 22200721
4-Bromo-1-(4-propylphenyl)sulfonylpyrazole
CID 22200722
4-Bromo-1-(4-propan-2-ylphenyl)sulfonylpyrazole
CID 22200723
4-Bromo-1-(4-butylphenyl)sulfonylpyrazole
CID 22200724

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole (CID 39730559) is 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole is Cc1cc(C)c(S(=O)(=O)n2cccn2)cc1Br.
What is the InChIKey of 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole?
The InChIKey is HHZKFXHNFQVHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-8-6-9(2)11(7-10(8)12)17(15,16)14-5-3-4-13-14/h3-7H,1-2H3.
What are the key properties of 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole?
1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole has a molecular weight of 315.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-dimethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 39730559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).