1-(4-bromophenyl)sulfonylpyrazole

C9H7BrN2O2S — CID 844586

IUPAC1-(4-bromophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Br)cc1)n1cccn1
InChIInChI=1S/C9H7BrN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H
InChIKeyMKXODXRBCKOVIV-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-bromophenyl)sulfonylpyrazole

1-(4-bromophenyl)sulfonylpyrazole (PubChem CID 844586) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylpyrazole
PubChem CID844586
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name1-(4-bromophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Br)cc1)n1cccn1
InChIInChI=1S/C9H7BrN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H
InChIKeyMKXODXRBCKOVIV-UHFFFAOYSA-N
XLogP1.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-bromophenyl)sulfonylpyrazole (CID 844586) is 1-(4-bromophenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonylpyrazole is O=S(=O)(c1ccc(Br)cc1)n1cccn1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylpyrazole?
The InChIKey is MKXODXRBCKOVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c10-8-2-4-9(5-3-8)15(13,14)12-7-1-6-11-12/h1-7H.
What are the key properties of 1-(4-bromophenyl)sulfonylpyrazole?
1-(4-bromophenyl)sulfonylpyrazole has a molecular weight of 287.14 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylpyrazole is sourced from PubChem (CID 844586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).