1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole

C10H8Br2N2O2S — CID 91670014

IUPAC1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole
SMILESCc1cc(Br)c(S(=O)(=O)n2cccn2)cc1Br
InChIInChI=1S/C10H8Br2N2O2S/c1-7-5-9(12)10(6-8(7)11)17(15,16)14-4-2-3-13-14/h2-6H,1H3
InChIKeyZHGMQVDGCNSHJP-UHFFFAOYSA-N
MW380.06 g/mol
LogP2.95
Rot. Bonds2

About 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole

1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole (PubChem CID 91670014) has the molecular formula C10H8Br2N2O2S and a molecular weight of 380.06 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole
PubChem CID91670014
Molecular FormulaC10H8Br2N2O2S
Molecular Weight380.06 g/mol
Exact Mass377.87
IUPAC Name1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole
SMILESCc1cc(Br)c(S(=O)(=O)n2cccn2)cc1Br
InChIInChI=1S/C10H8Br2N2O2S/c1-7-5-9(12)10(6-8(7)11)17(15,16)14-4-2-3-13-14/h2-6H,1H3
InChIKeyZHGMQVDGCNSHJP-UHFFFAOYSA-N
XLogP2.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.06
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Tosylpyrozole
CID 320750
1-((2-Bromophenyl)sulfonyl)-1H-pyrazole
CID 26370015
4-bromo-1-tosyl-1H-pyrazole
CID 14041591
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-butylphenyl)sulfonylpyrazole
CID 22200724
1,4-Dibromo-2-[(3-methylpyrazolyl)sulfonyl]benzene
CID 39026758
1-(5-bromo-2,4-dimethylbenzenesulfonyl)-1H-pyrazole
CID 39730559
1-(2,5-dibromobenzenesulfonyl)-1H-pyrazole
CID 39845405
1-[(4-bromo-2,5-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 39845422

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole (CID 91670014) is 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole is Cc1cc(Br)c(S(=O)(=O)n2cccn2)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole?
The InChIKey is ZHGMQVDGCNSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O2S/c1-7-5-9(12)10(6-8(7)11)17(15,16)14-4-2-3-13-14/h2-6H,1H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole?
1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole has a molecular weight of 380.06 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 91670014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).