1-(3,4-dimethylphenyl)sulfonylpyrazole

C11H12N2O2S — CID 6463098

IUPAC1-(3,4-dimethylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cccn2)cc1C
InChIInChI=1S/C11H12N2O2S/c1-9-4-5-11(8-10(9)2)16(14,15)13-7-3-6-12-13/h3-8H,1-2H3
InChIKeyQDDRLNUCWVJOHI-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonylpyrazole

1-(3,4-dimethylphenyl)sulfonylpyrazole (PubChem CID 6463098) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonylpyrazole
PubChem CID6463098
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(3,4-dimethylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cccn2)cc1C
InChIInChI=1S/C11H12N2O2S/c1-9-4-5-11(8-10(9)2)16(14,15)13-7-3-6-12-13/h3-8H,1-2H3
InChIKeyQDDRLNUCWVJOHI-UHFFFAOYSA-N
XLogP1.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Naphthalen-2-ylsulfonylpyrazole
CID 6469143
1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 700199
1-Tosylpyrozole
CID 320750
1-(3,4-Dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 786057
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
1-Benzenesulfonylpyrazole
CID 588934
4-iodo-1-tosyl-1H-pyrazole
CID 14041590
3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 785585
1-(2,5-Dimethylphenyl)sulfonyl-3-methylpyrazole
CID 2143106
1-((2,5-dimethylphenyl)sulfonyl)-1H-pyrazole
CID 16004554
1-[(4-Ethylphenyl)sulfonyl]-3-methylpyrazole
CID 42588626
1-(4-Methylphenyl)sulfonyl-3-phenylpyrazole
CID 12588997

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonylpyrazole (CID 6463098) is 1-(3,4-dimethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)n2cccn2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonylpyrazole?
The InChIKey is QDDRLNUCWVJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9-4-5-11(8-10(9)2)16(14,15)13-7-3-6-12-13/h3-8H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonylpyrazole?
1-(3,4-dimethylphenyl)sulfonylpyrazole has a molecular weight of 236.30 g/mol, XLogP of 1.74, 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)sulfonylpyrazole is sourced from PubChem (CID 6463098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).