1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole

C11H11BrN2O2S — CID 5324098

IUPAC1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccccc2)c(C)c1Br
InChIInChI=1S/C11H11BrN2O2S/c1-8-11(12)9(2)14(13-8)17(15,16)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyZIUFRYBNFVJNFI-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.50
Rot. Bonds2

About 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole

1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole (PubChem CID 5324098) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole
PubChem CID5324098
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccccc2)c(C)c1Br
InChIInChI=1S/C11H11BrN2O2S/c1-8-11(12)9(2)14(13-8)17(15,16)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyZIUFRYBNFVJNFI-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

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Related Compounds

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CID 261702
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4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
CID 1227859
3,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrazole
CID 757430
1-((1-((4-bromophenyl)sulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)azepane
CID 16034701
4-bromo-1-(mesitylsulfonyl)-3,5-dimethyl-1H-pyrazole
CID 1292991
3,4,5-trimethyl-1-tosyl-1H-pyrazole
CID 6464030
1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole
CID 785736
3-methyl-1-(phenylsulfonyl)-1H-pyrazole
CID 2992104
1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 762298
1-[(4-bromophenyl)sulfonyl]-3,5-dimethyl-4-(phenylthio)-1H-pyrazole
CID 1069340
1-(4-Iodophenyl)sulfonyl-3,5-dimethylpyrazole
CID 1326097

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole?
The IUPAC name of 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole (CID 5324098) is 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole is Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1Br.
What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole?
The InChIKey is ZIUFRYBNFVJNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-8-11(12)9(2)14(13-8)17(15,16)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole?
1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole 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-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole is sourced from PubChem (CID 5324098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).