1-(2,5-dibromophenyl)sulfonylpyrazole

C9H6Br2N2O2S — CID 39845405

IUPAC1-(2,5-dibromophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1cc(Br)ccc1Br)n1cccn1
InChIInChI=1S/C9H6Br2N2O2S/c10-7-2-3-8(11)9(6-7)16(14,15)13-5-1-4-12-13/h1-6H
InChIKeyZEMPBZWFPQTDHD-UHFFFAOYSA-N
MW366.03 g/mol
LogP2.65
Rot. Bonds2

About 1-(2,5-dibromophenyl)sulfonylpyrazole

1-(2,5-dibromophenyl)sulfonylpyrazole (PubChem CID 39845405) has the molecular formula C9H6Br2N2O2S and a molecular weight of 366.03 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)sulfonylpyrazole
PubChem CID39845405
Molecular FormulaC9H6Br2N2O2S
Molecular Weight366.03 g/mol
Exact Mass363.85
IUPAC Name1-(2,5-dibromophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1cc(Br)ccc1Br)n1cccn1
InChIInChI=1S/C9H6Br2N2O2S/c10-7-2-3-8(11)9(6-7)16(14,15)13-5-1-4-12-13/h1-6H
InChIKeyZEMPBZWFPQTDHD-UHFFFAOYSA-N
XLogP2.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.03
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)sulfonylpyrazole?
The IUPAC name of 1-(2,5-dibromophenyl)sulfonylpyrazole (CID 39845405) is 1-(2,5-dibromophenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(2,5-dibromophenyl)sulfonylpyrazole?
The canonical SMILES for 1-(2,5-dibromophenyl)sulfonylpyrazole is O=S(=O)(c1cc(Br)ccc1Br)n1cccn1.
What is the InChIKey of 1-(2,5-dibromophenyl)sulfonylpyrazole?
The InChIKey is ZEMPBZWFPQTDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O2S/c10-7-2-3-8(11)9(6-7)16(14,15)13-5-1-4-12-13/h1-6H.
What are the key properties of 1-(2,5-dibromophenyl)sulfonylpyrazole?
1-(2,5-dibromophenyl)sulfonylpyrazole has a molecular weight of 366.03 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)sulfonylpyrazole is sourced from PubChem (CID 39845405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).